N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide

C12H12N2O2S2 — CID 75387926

IUPACN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CC(=O)c1cccs1)NC(=O)c1cscn1
InChIInChI=1S/C12H12N2O2S2/c1-8(5-10(15)11-3-2-4-18-11)14-12(16)9-6-17-7-13-9/h2-4,6-8H,5H2,1H3,(H,14,16)
InChIKeyACKSVOOKCHGMHV-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.60
Rot. Bonds5

About N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide

N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 75387926) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID75387926
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC NameN-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide
SMILESCC(CC(=O)c1cccs1)NC(=O)c1cscn1
InChIInChI=1S/C12H12N2O2S2/c1-8(5-10(15)11-3-2-4-18-11)14-12(16)9-6-17-7-13-9/h2-4,6-8H,5H2,1H3,(H,14,16)
InChIKeyACKSVOOKCHGMHV-UHFFFAOYSA-N
XLogP2.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]pyridine-2-carboxamide
CID 97330247
N-(4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038589
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63038597
(2R)-2-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]propanamide
CID 97240926
N-[1-(2-chlorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 55144973
4-methoxy-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97240938
1,3,5-trimethyl-N-(4-oxo-4-thiophen-2-ylbutan-2-yl)pyrazole-4-carboxamide
CID 84589932
N-[1-(4-fluorophenyl)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 63049098
N-(1-methoxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63038066
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide (CID 75387926) is N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide is CC(CC(=O)c1cccs1)NC(=O)c1cscn1.
What is the InChIKey of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ACKSVOOKCHGMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8(5-10(15)11-3-2-4-18-11)14-12(16)9-6-17-7-13-9/h2-4,6-8H,5H2,1H3,(H,14,16).
What are the key properties of N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide?
N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-4-thiophen-2-ylbutan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75387926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).