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Chemical ID: 6001323
Chemical ID:
6001323
Name [?]:
N-cyclopropyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]cyclopropanecarboxamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(C2CC2)C(=O)C3CC3
InChi [?]:
InChI=1/C13H17N3O2S/c1-8-6-14-13(19-8)15-11(17)7-16(10-4-5-10)12(18)9-2-3-9/h6,9-10H,2-5,7H2,1H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,19,13,14,3,10,2,17,12,8,15,5,4,7,11,9,16,6/E:(2,3)(4,5)/rA:19nCCCNCSNCOCNCCCCOCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s12s13;s11;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17N3O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97358 |
Area: | 482.827 |
Solvation: | -4.09709 |
Coulombic: | -39.7639 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 279.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | -0.24 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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