2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

C18H23N3O2S — CID 110342389

IUPAC2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCCC(C)C)c(C)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-11(2)9-10-19-17(23)16-12(3)24-18(21-16)14-5-7-15(8-6-14)20-13(4)22/h5-8,11H,9-10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyRSDFFAYCMIVXIC-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.85
Rot. Bonds6

About 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide (PubChem CID 110342389) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
PubChem CID110342389
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2nc(C(=O)NCCC(C)C)c(C)s2)cc1
InChIInChI=1S/C18H23N3O2S/c1-11(2)9-10-19-17(23)16-12(3)24-18(21-16)14-5-7-15(8-6-14)20-13(4)22/h5-8,11H,9-10H2,1-4H3,(H,19,23)(H,20,22)
InChIKeyRSDFFAYCMIVXIC-UHFFFAOYSA-N
XLogP3.85
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(3-methylbutyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 110649271
2-(4-acetamidophenyl)-5-methyl-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 110342379
2-(4-acetamidophenyl)-N-tert-butyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342387
2-(4-acetamidophenyl)-N,N-diethyl-5-methyl-1,3-thiazole-4-carboxamide
CID 110342385
2-(4-acetamidophenyl)-5-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110342355
5-methyl-2-phenyl-N-propyl-1,3-thiazole-4-carboxamide
CID 110647228
5-methyl-N-[4-(3-methylbutylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327478
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(3-methylbutyl)propanediamide
CID 108966311
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
N-(4-acetamidophenyl)-2-bromo-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 71703340

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide (CID 110342389) is 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(-c2nc(C(=O)NCCC(C)C)c(C)s2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RSDFFAYCMIVXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11(2)9-10-19-17(23)16-12(3)24-18(21-16)14-5-7-15(8-6-14)20-13(4)22/h5-8,11H,9-10H2,1-4H3,(H,19,23)(H,20,22).
What are the key properties of 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide?
2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-5-methyl-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110342389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).