2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid

C12H11N3O3S — CID 42813690

IUPAC2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(17)6-13-11(18)9-7-19-12(15-9)14-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyPEYGZQQUOKAHJP-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid

2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 42813690) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID42813690
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1csc(Nc2ccccc2)n1
InChIInChI=1S/C12H11N3O3S/c16-10(17)6-13-11(18)9-7-19-12(15-9)14-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,14,15)(H,16,17)
InChIKeyPEYGZQQUOKAHJP-UHFFFAOYSA-N
XLogP1.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 42795716
2-[[2-(benzylcarbamoylamino)-1,3-thiazole-4-carbonyl]amino]acetic acid
CID 18322900
2-anilino-N-[2-[di(propan-2-yl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 117085099
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119
1-(2-anilino-1,3-thiazol-4-yl)propan-1-one
CID 58966318
2-anilino-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 30860157
3-[[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 42813686
N-(2-anilino-2-oxoethyl)-2-(2-chloroanilino)-1,3-thiazole-4-carboxamide
CID 42813501
2-(4-methylanilino)-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3978833
3-[(2-anilino-1,3-thiazole-4-carbonyl)-cyclopropylamino]propanoic acid
CID 42795963
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
2-anilino-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 50830665

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 42813690) is 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1csc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is PEYGZQQUOKAHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c16-10(17)6-13-11(18)9-7-19-12(15-9)14-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,18)(H,14,15)(H,16,17).
What are the key properties of 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 42813690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).