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

C16H20N2O2S — CID 3707305

IUPAC3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCOc1ccc(C(CC(=O)Nc2nccs2)C(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14(12-4-6-13(20-3)7-5-12)10-15(19)18-16-17-8-9-21-16/h4-9,11,14H,10H2,1-3H3,(H,17,18,19)
InChIKeyRAWVNRXAGXHLQO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.92
Rot. Bonds6

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

3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 3707305) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID3707305
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
SMILESCOc1ccc(C(CC(=O)Nc2nccs2)C(C)C)cc1
InChIInChI=1S/C16H20N2O2S/c1-11(2)14(12-4-6-13(20-3)7-5-12)10-15(19)18-16-17-8-9-21-16/h4-9,11,14H,10H2,1-3H3,(H,17,18,19)
InChIKeyRAWVNRXAGXHLQO-UHFFFAOYSA-N
XLogP3.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(3-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001165
1-[2-(4-Methoxyphenyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3001166
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
3-(3-fluoro-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851366
(3S)-3-(3-cyano-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49851464
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
(3S)-3-(3-fluoro-4-hydroxyphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 49836028
4-(2,3-dimethylphenoxy)-N-1,3-thiazol-2-ylbutanamide
CID 1575135
3-(3,4-dimethoxyphenyl)-N-(thiazol-2-yl)propanamide
CID 2118575
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 4882898

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide (CID 3707305) is 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is COc1ccc(C(CC(=O)Nc2nccs2)C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is RAWVNRXAGXHLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11(2)14(12-4-6-13(20-3)7-5-12)10-15(19)18-16-17-8-9-21-16/h4-9,11,14H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide?
3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 304.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4-methyl-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 3707305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).