5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide

C15H18N2O2S2 — CID 118770282

IUPAC5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCc2csc(C(C)C)n2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-9(2)15-17-12(8-21-15)4-5-16-14(19)11-6-13(10(3)18)20-7-11/h6-9H,4-5H2,1-3H3,(H,16,19)
InChIKeyJACQKATXFKHEFX-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.50
Rot. Bonds6

About 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide

5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide (PubChem CID 118770282) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
PubChem CID118770282
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)NCCc2csc(C(C)C)n2)cs1
InChIInChI=1S/C15H18N2O2S2/c1-9(2)15-17-12(8-21-15)4-5-16-14(19)11-6-13(10(3)18)20-7-11/h6-9H,4-5H2,1-3H3,(H,16,19)
InChIKeyJACQKATXFKHEFX-UHFFFAOYSA-N
XLogP3.50
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
CID 91761022
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3-(1,2-thiazol-5-yl)benzamide
CID 169411645
5-(methylsulfamoyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 126784875
4-hydroxy-3-nitro-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 75452335
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119183061
6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 146075368
N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-2H-benzotriazole-4-carboxamide
CID 126782331
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide (CID 118770282) is 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide is CC(=O)c1cc(C(=O)NCCc2csc(C(C)C)n2)cs1.
What is the InChIKey of 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is JACQKATXFKHEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c1-9(2)15-17-12(8-21-15)4-5-16-14(19)11-6-13(10(3)18)20-7-11/h6-9H,4-5H2,1-3H3,(H,16,19).
What are the key properties of 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide?
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 322.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 118770282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).