2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C16H20N2O2S2 — CID 111542504

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(C)CO)n2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-11-3-5-13(6-4-11)14-9-22-16(17-14)18-15(20)10-21-8-12(2)7-19/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18,20)
InChIKeyXUCSVUZOIKSYFX-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.42
Rot. Bonds7

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

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 111542504) has the molecular formula C16H20N2O2S2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID111542504
Molecular FormulaC16H20N2O2S2
Molecular Weight336.48 g/mol
Exact Mass336.10
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CSCC(C)CO)n2)cc1
InChIInChI=1S/C16H20N2O2S2/c1-11-3-5-13(6-4-11)14-9-22-16(17-14)18-15(20)10-21-8-12(2)7-19/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18,20)
InChIKeyXUCSVUZOIKSYFX-UHFFFAOYSA-N
XLogP3.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 7820378
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24529270
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 163326085
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2336920
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 135704499
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
methyl 2-[2-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylacetate
CID 16544084

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 111542504) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CSCC(C)CO)n2)cc1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XUCSVUZOIKSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S2/c1-11-3-5-13(6-4-11)14-9-22-16(17-14)18-15(20)10-21-8-12(2)7-19/h3-6,9,12,19H,7-8,10H2,1-2H3,(H,17,18,20).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 111542504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).