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

C13H15N3OS — CID 62789147

IUPAC2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(N)n1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9(10-5-3-2-4-6-10)7-15-12(17)11-8-18-13(14)16-11/h2-6,8-9H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWCLSHNOKAMXCFP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.26
Rot. Bonds4

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

2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 62789147) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID62789147
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(CNC(=O)c1csc(N)n1)c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-9(10-5-3-2-4-6-10)7-15-12(17)11-8-18-13(14)16-11/h2-6,8-9H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWCLSHNOKAMXCFP-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(2R)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9457088
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62787414
2-amino-N-(2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 62787415
(2S)-3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107835842
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
2-(aminomethyl)-N-[2-(4-methylphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119795780
4-amino-2-(methylamino)-N-(2-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 116673105
N-(2-amino-2-phenylethyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 119528766
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-phenylpropyl]-1,3-thiazole-4-carboxamide
CID 9090037
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
2-(2-amino-1,3-thiazol-4-yl)-N-(3-phenylbutyl)acetamide
CID 62987863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 62789147) is 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide is CC(CNC(=O)c1csc(N)n1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WCLSHNOKAMXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(10-5-3-2-4-6-10)7-15-12(17)11-8-18-13(14)16-11/h2-6,8-9H,7H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62789147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).