3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide

C17H21N3O2S — CID 17444226

IUPAC3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-4-15(21)18-13-7-5-12(6-8-13)14-10-23-17(19-14)20-16(22)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyWCAJVZHAFVRNNQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.14
Rot. Bonds6

About 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide

3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 17444226) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
PubChem CID17444226
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
SMILESCCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C17H21N3O2S/c1-4-15(21)18-13-7-5-12(6-8-13)14-10-23-17(19-14)20-16(22)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22)
InChIKeyWCAJVZHAFVRNNQ-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-[2-[(2-acetamidoacetyl)amino]-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 167788022
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 4232837
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 8962073
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-4-methylpentanamide
CID 26893941
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
3-methyl-N-[4-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 2444445
3-amino-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide;hydrochloride
CID 119694022
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide (CID 17444226) is 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide is CCC(=O)Nc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1.
What is the InChIKey of 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is WCAJVZHAFVRNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-4-15(21)18-13-7-5-12(6-8-13)14-10-23-17(19-14)20-16(22)9-11(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,18,21)(H,19,20,22).
What are the key properties of 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide?
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide 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 3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 17444226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).