2-(2-benzamido-1,3-thiazol-4-yl)acetic acid

C12H10N2O3S — CID 677066

IUPAC2-(2-benzamido-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C12H10N2O3S/c15-10(16)6-9-7-18-12(13-9)14-11(17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)(H,13,14,17)
InChIKeyYUASLJXAXQANLW-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.02
Rot. Bonds4

About 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid

2-(2-benzamido-1,3-thiazol-4-yl)acetic acid (PubChem CID 677066) has the molecular formula C12H10N2O3S and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-benzamido-1,3-thiazol-4-yl)acetic acid
PubChem CID677066
Molecular FormulaC12H10N2O3S
Molecular Weight262.29 g/mol
Exact Mass262.04
IUPAC Name2-(2-benzamido-1,3-thiazol-4-yl)acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccccc2)n1
InChIInChI=1S/C12H10N2O3S/c15-10(16)6-9-7-18-12(13-9)14-11(17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)(H,13,14,17)
InChIKeyYUASLJXAXQANLW-UHFFFAOYSA-N
XLogP2.02
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid (CID 677066) is 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid is O=C(O)Cc1csc(NC(=O)c2ccccc2)n1.
What is the InChIKey of 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid?
The InChIKey is YUASLJXAXQANLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3S/c15-10(16)6-9-7-18-12(13-9)14-11(17)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,16)(H,13,14,17).
What are the key properties of 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid?
2-(2-benzamido-1,3-thiazol-4-yl)acetic acid has a molecular weight of 262.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzamido-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 677066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).