2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 125485672

IUPAC2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-2-4-8(5-3-7)14-10(15)9-6-13-11(12)16-9/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyPFRWCPJVIPPAOO-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide

2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 125485672) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID125485672
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)s2)cc1
InChIInChI=1S/C11H11N3OS/c1-7-2-4-8(5-3-7)14-10(15)9-6-13-11(12)16-9/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyPFRWCPJVIPPAOO-UHFFFAOYSA-N
XLogP2.29
TPSA68.01 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide (CID 125485672) is 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1ccc(NC(=O)c2cnc(N)s2)cc1.
What is the InChIKey of 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PFRWCPJVIPPAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-2-4-8(5-3-7)14-10(15)9-6-13-11(12)16-9/h2-6H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide?
2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 125485672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).