2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C13H16N2O2S3 — CID 111542537

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H16N2O2S3/c1-9(5-16)6-18-8-12(17)15-13-14-10(7-20-13)11-3-2-4-19-11/h2-4,7,9,16H,5-6,8H2,1H3,(H,14,15,17)
InChIKeyBJVJRCBEOKSSEE-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 111542537) has the molecular formula C13H16N2O2S3 and a molecular weight of 328.48 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID111542537
Molecular FormulaC13H16N2O2S3
Molecular Weight328.48 g/mol
Exact Mass328.04
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H16N2O2S3/c1-9(5-16)6-18-8-12(17)15-13-14-10(7-20-13)11-3-2-4-19-11/h2-4,7,9,16H,5-6,8H2,1H3,(H,14,15,17)
InChIKeyBJVJRCBEOKSSEE-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 111542504
3-methyl-N,N'-bis(4-thiophen-2-yl-1,3-thiazol-2-yl)hexanediamide
CID 112830370
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66104229
2-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2158854
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 2337188
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 4292505
(E)-4-oxo-4-[4-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylanilino]but-2-enoic acid
CID 19713255
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 111542537) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is CC(CO)CSCC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is BJVJRCBEOKSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S3/c1-9(5-16)6-18-8-12(17)15-13-14-10(7-20-13)11-3-2-4-19-11/h2-4,7,9,16H,5-6,8H2,1H3,(H,14,15,17).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 328.48 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 111542537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).