Chemical ID: 6531617

Cc1nn(c(=N)s1)CC(=O)O
Chemical ID:
6531617
Name [?]:
2-(2-imino-5-methyl-1,3,4-thiadiazol-3-yl)acetic acid
SMILES [?]:
Cc1nn(c(=N)s1)CC(=O)O
InChi [?]:
InChI=1/C5H7N3O2S/c1-3-7-8(2-4(9)10)5(6)11-3/h6H,2H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,8,2,9,5,6,3,4,10,11,7/E:(9,10)/rA:11nCCNNCNSCCOO/rB:s1;d2;s3;s4;w5;s2s5;s4;s8;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7N3O2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.49859
Area:327.873
Solvation:-2.69823
Coulombic:-43.0212
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:173.194
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.26
LogP (Chemaxon):-0.04

Name Annotations

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Descriptor Annotations

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