N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide

C18H16N2O2S2 — CID 55610699

IUPACN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1ccccc1
InChIInChI=1S/C18H16N2O2S2/c1-12-17(13-6-3-2-4-7-13)24-18(19-12)20-16(22)10-9-14(21)15-8-5-11-23-15/h2-8,11H,9-10H2,1H3,(H,19,20,22)
InChIKeySCMIUUIREDOQSW-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.78
Rot. Bonds6

About N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide

N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 55610699) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID55610699
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC NameN-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESCc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1ccccc1
InChIInChI=1S/C18H16N2O2S2/c1-12-17(13-6-3-2-4-7-13)24-18(19-12)20-16(22)10-9-14(21)15-8-5-11-23-15/h2-8,11H,9-10H2,1H3,(H,19,20,22)
InChIKeySCMIUUIREDOQSW-UHFFFAOYSA-N
XLogP4.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30593557
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
prop-2-enyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108796397
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-3-thiophen-3-ylpropanamide
CID 39189565
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-thiophen-2-ylbutanamide
CID 46542151
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109
N-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 57415009
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 2397239
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide (CID 55610699) is N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is Cc1nc(NC(=O)CCC(=O)c2cccs2)sc1-c1ccccc1.
What is the InChIKey of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is SCMIUUIREDOQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-12-17(13-6-3-2-4-7-13)24-18(19-12)20-16(22)10-9-14(21)15-8-5-11-23-15/h2-8,11H,9-10H2,1H3,(H,19,20,22).
What are the key properties of N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 356.47 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 55610699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).