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

C16H20N2OS — CID 78778253

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
SMILESCCCCCC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H20N2OS/c1-3-4-6-11-15(19)18(14-9-7-5-8-10-14)16-17-13(2)12-20-16/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyLMXKZAXCVNXHOA-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.70
Rot. Bonds6

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

N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide (PubChem CID 78778253) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
PubChem CID78778253
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
SMILESCCCCCC(=O)N(c1ccccc1)c1nc(C)cs1
InChIInChI=1S/C16H20N2OS/c1-3-4-6-11-15(19)18(14-9-7-5-8-10-14)16-17-13(2)12-20-16/h5,7-10,12H,3-4,6,11H2,1-2H3
InChIKeyLMXKZAXCVNXHOA-UHFFFAOYSA-N
XLogP4.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502
(2S)-2-benzylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 51958198
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 62727733
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55360254
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2671893
2-(2,4-dimethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 42999079
(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 9206281
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7917606
2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide (CID 78778253) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide is CCCCCC(=O)N(c1ccccc1)c1nc(C)cs1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide?
The InChIKey is LMXKZAXCVNXHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-4-6-11-15(19)18(14-9-7-5-8-10-14)16-17-13(2)12-20-16/h5,7-10,12H,3-4,6,11H2,1-2H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide has a molecular weight of 288.42 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 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)-N-phenylhexanamide is sourced from PubChem (CID 78778253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).