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

C16H20N2OS — CID 30273255

IUPAC2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-5-13-6-8-14(9-7-13)10-15(19)18-16-17-12(2)11-20-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyNUBLWAYXMWTCJR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.98
Rot. Bonds6

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

2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 30273255) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID30273255
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-5-13-6-8-14(9-7-13)10-15(19)18-16-17-12(2)11-20-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19)
InChIKeyNUBLWAYXMWTCJR-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
4-butyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4609111
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-pentylbenzamide
CID 5064343
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
N-ethyl-2-(4-methoxyphenyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]acetamide
CID 814209
2-(4-butylphenyl)-N-(6-methyl-2-pyridinyl)acetamide
CID 46651760
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110675165
N-butyl-2,2-dimethyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 5078551
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594501
2-(4-butylphenyl)-N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 78859538

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 30273255) is 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCCCc1ccc(CC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NUBLWAYXMWTCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-4-5-13-6-8-14(9-7-13)10-15(19)18-16-17-12(2)11-20-16/h6-9,11H,3-5,10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 288.42 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 30273255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).