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

C14H16N2OS — CID 110467972

IUPACN-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(CNC(=O)c1nccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)10-16-12(17)13-15-8-9-18-13/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyQULMYAXVZGFCDD-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.85
Rot. Bonds4

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

N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide (PubChem CID 110467972) 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-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
PubChem CID110467972
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)(CNC(=O)c1nccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)10-16-12(17)13-15-8-9-18-13/h3-9H,10H2,1-2H3,(H,16,17)
InChIKeyQULMYAXVZGFCDD-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-[2-(2-fluorophenyl)-2-methylpropyl]-1,3-thiazole-2-carboxamide
CID 110468020
N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 39698381
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791
2-bromo-N-(2-methyl-2-phenylpropyl)pyridine-3-carboxamide
CID 103752335
N-(2,2-diphenylethyl)-1,3-thiazole-2-carboxamide
CID 91094529
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 62045664
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
N-(2-methyl-2-phenylpropyl)thiophene-3-carboxamide
CID 39700914
2-(methylamino)-N-(2-methyl-2-phenylpropyl)benzamide
CID 61375924
(2-methyl-2-phenylpropyl)carbamothioic S-acid
CID 115170506
N-(aminomethyl)-1,3-thiazole-2-carboxamide
CID 123824838
N-[(1-phenylcyclopropyl)methyl]-1,3-thiazole-2-carboxamide
CID 110467968

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide (CID 110467972) is N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide is CC(C)(CNC(=O)c1nccs1)c1ccccc1.
What is the InChIKey of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide?
The InChIKey is QULMYAXVZGFCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-14(2,11-6-4-3-5-7-11)10-16-12(17)13-15-8-9-18-13/h3-9H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-carboxamide?
N-(2-methyl-2-phenylpropyl)-1,3-thiazole-2-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-2-carboxamide is sourced from PubChem (CID 110467972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).