N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide

C14H16N2OS — CID 2915996

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-3-12(11-7-5-4-6-8-11)13(17)16-14-15-10(2)9-18-14/h4-9,12H,3H2,1-2H3,(H,15,16,17)
InChIKeyKTGBVMQPWPDEPZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.58
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide

N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide (PubChem CID 2915996) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
PubChem CID2915996
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1nc(C)cs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c1-3-12(11-7-5-4-6-8-11)13(17)16-14-15-10(2)9-18-14/h4-9,12H,3H2,1-2H3,(H,15,16,17)
InChIKeyKTGBVMQPWPDEPZ-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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T0400-1499
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CID 824266
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
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2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide (CID 2915996) is N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide is CCC(C(=O)Nc1nc(C)cs1)c1ccccc1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
The InChIKey is KTGBVMQPWPDEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-3-12(11-7-5-4-6-8-11)13(17)16-14-15-10(2)9-18-14/h4-9,12H,3H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide has a molecular weight of 260.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 2915996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).