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

C13H15N3OS — CID 63010937

IUPAC2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1csc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9(7-10-5-3-2-4-6-10)15-12(17)11-8-18-13(14)16-11/h2-6,8-9H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVYVUMOSDCZOAFM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.09
Rot. Bonds4

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

2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 63010937) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID63010937
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(Cc1ccccc1)NC(=O)c1csc(N)n1
InChIInChI=1S/C13H15N3OS/c1-9(7-10-5-3-2-4-6-10)15-12(17)11-8-18-13(14)16-11/h2-6,8-9H,7H2,1H3,(H2,14,16)(H,15,17)
InChIKeyVYVUMOSDCZOAFM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62786815
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
5-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 81317136
N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylacetic acid
CID 62787046
2-amino-N-(2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62789147
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
CID 99949923
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 62788085
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
5-methyl-N-(1-phenylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 176958817

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide (CID 63010937) is 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide is CC(Cc1ccccc1)NC(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VYVUMOSDCZOAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9(7-10-5-3-2-4-6-10)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-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63010937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).