2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 735558

IUPAC2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyCACOMUHPQMDEJQ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.29
Rot. Bonds2

About 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 735558) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID735558
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKeyCACOMUHPQMDEJQ-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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Related Compounds

2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794412
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-phenyl-4-sulfanyl-1,3-thiazole-5-carboxamide
CID 151260431
(E)-3-[4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342282
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793426
2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62793257
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide (CID 735558) is 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is CACOMUHPQMDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-phenyl-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-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 735558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).