2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

C14H16N2OS — CID 38766578

IUPAC2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H16N2OS/c1-10(2)15-14(17)12-9-18-13(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyHEWIHLGAYWJDIC-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.87
Rot. Bonds4

About 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide

2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 38766578) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID38766578
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C14H16N2OS/c1-10(2)15-14(17)12-9-18-13(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17)
InChIKeyHEWIHLGAYWJDIC-UHFFFAOYSA-N
XLogP2.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-benzyl-1,3-thiazole-4-carboxamide
CID 120508270
2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
(2R)-2-[[2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526918
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-benzyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 70751053
N-(2-amino-1-cyclopropylethyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119613700
2-benzyl-N-[1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]-1,3-thiazole-4-carboxamide
CID 67289119
2-benzyl-N-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97042057
2-[[2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoic acid
CID 84556759
(2S)-2-[[2-(2-methylpropyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366724

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 38766578) is 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HEWIHLGAYWJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10(2)15-14(17)12-9-18-13(16-12)8-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,15,17).
What are the key properties of 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide?
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38766578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).