2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

C14H18N2O3S2 — CID 111442092

IUPAC2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCC(C)(O)c2cccs2)c1C
InChIInChI=1S/C14H18N2O3S2/c1-9-10(2)21-13(18)16(9)7-12(17)15-8-14(3,19)11-5-4-6-20-11/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyVWUSJHQJKCKFQQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.61
Rot. Bonds5

About 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (PubChem CID 111442092) has the molecular formula C14H18N2O3S2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
PubChem CID111442092
Molecular FormulaC14H18N2O3S2
Molecular Weight326.44 g/mol
Exact Mass326.08
IUPAC Name2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCc1sc(=O)n(CC(=O)NCC(C)(O)c2cccs2)c1C
InChIInChI=1S/C14H18N2O3S2/c1-9-10(2)21-13(18)16(9)7-12(17)15-8-14(3,19)11-5-4-6-20-11/h4-6,19H,7-8H2,1-3H3,(H,15,17)
InChIKeyVWUSJHQJKCKFQQ-UHFFFAOYSA-N
XLogP1.61
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
CID 111441933
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
N-(2-hydroxy-2-thiophen-2-ylpropyl)pentanamide
CID 90499744
2-(diethylamino)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111441786
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-phenylbutanamide
CID 111442221
3-(2-hydroxyphenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)propanamide
CID 111442061
N'-(4-acetamidophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499924
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-4-methylthiophene-2-carboxamide
CID 95983247
2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (CID 111442092) is 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is Cc1sc(=O)n(CC(=O)NCC(C)(O)c2cccs2)c1C.
What is the InChIKey of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is VWUSJHQJKCKFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S2/c1-9-10(2)21-13(18)16(9)7-12(17)15-8-14(3,19)11-5-4-6-20-11/h4-6,19H,7-8H2,1-3H3,(H,15,17).
What are the key properties of 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 111442092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).