2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide

C11H11N3OS — CID 174522837

IUPAC2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide
SMILESCc1nsc(N)c1-c1ccccc1C(N)=O
InChIInChI=1S/C11H11N3OS/c1-6-9(11(13)16-14-6)7-4-2-3-5-8(7)10(12)15/h2-5H,13H2,1H3,(H2,12,15)
InChIKeyWIHIBIVNSMAOCO-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.80
Rot. Bonds2

About 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide

2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide (PubChem CID 174522837) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide
PubChem CID174522837
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide
SMILESCc1nsc(N)c1-c1ccccc1C(N)=O
InChIInChI=1S/C11H11N3OS/c1-6-9(11(13)16-14-6)7-4-2-3-5-8(7)10(12)15/h2-5H,13H2,1H3,(H2,12,15)
InChIKeyWIHIBIVNSMAOCO-UHFFFAOYSA-N
XLogP1.80
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide?
The IUPAC name of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide (CID 174522837) is 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide.
What is the SMILES notation for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide?
The canonical SMILES for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide is Cc1nsc(N)c1-c1ccccc1C(N)=O.
What is the InChIKey of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide?
The InChIKey is WIHIBIVNSMAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-6-9(11(13)16-14-6)7-4-2-3-5-8(7)10(12)15/h2-5H,13H2,1H3,(H2,12,15).
What are the key properties of 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide?
2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide has a molecular weight of 233.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methyl-1,2-thiazol-4-yl)benzamide is sourced from PubChem (CID 174522837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).