N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

C17H21N3O2S — CID 26893941

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)4-9-16(22)20-17-19-15(10-23-17)13-5-7-14(8-6-13)18-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyNELJSSHSNCATPV-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.14
Rot. Bonds6

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (PubChem CID 26893941) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
PubChem CID26893941
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)CCC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-11(2)4-9-16(22)20-17-19-15(10-23-17)13-5-7-14(8-6-13)18-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyNELJSSHSNCATPV-UHFFFAOYSA-N
XLogP4.14
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]hexanamide
CID 18083975
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-oxo-4-phenylbutanamide
CID 52893209
N-[4-[2-[(2-acetamidoacetyl)amino]-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 167788022
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7848069
N-[3-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 43000018
N-[4-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 4820967
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(4-cyanophenyl)propanamide
CID 41486929
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethylphenoxy)propanamide
CID 35505939
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455186

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide (CID 26893941) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is CC(=O)Nc1ccc(-c2csc(NC(=O)CCC(C)C)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
The InChIKey is NELJSSHSNCATPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11(2)4-9-16(22)20-17-19-15(10-23-17)13-5-7-14(8-6-13)18-12(3)21/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide has a molecular weight of 331.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide is sourced from PubChem (CID 26893941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).