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

C14H16N2OS — CID 62045664

IUPACN-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)9-15-13(17)12-8-18-10-16-12/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyMQASIKLOZLFYIK-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.85
Rot. Bonds4

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

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 62045664) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID62045664
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(CNC(=O)c1cscn1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)9-15-13(17)12-8-18-10-16-12/h3-8,10H,9H2,1-2H3,(H,15,17)
InChIKeyMQASIKLOZLFYIK-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-2-benzyl-3-hydroxy-2-methylbutyl]-1,3-thiazole-4-carboxamide
CID 99835171
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 110436445
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
N-[(4-tert-butylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110471823
N-(2-methyl-2-phenylpropyl)-2H-triazole-4-carboxamide
CID 47338743
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
CID 110467972
N-[2-methyl-2-(1,3-thiazole-4-carbonylamino)pentyl]-1,3-thiazole-4-carboxamide
CID 75422005
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 63049091
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 63038083

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide (CID 62045664) is N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide is CC(C)(CNC(=O)c1cscn1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is MQASIKLOZLFYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)9-15-13(17)12-8-18-10-16-12/h3-8,10H,9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide?
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).