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

C9H14N2O2S2 — CID 66104229

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nccs1
InChIInChI=1S/C9H14N2O2S2/c1-7(4-12)5-14-6-8(13)11-9-10-2-3-15-9/h2-3,7,12H,4-6H2,1H3,(H,10,11,13)
InChIKeyVOAOHJOGMBHFAP-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.44
Rot. Bonds6

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

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 66104229) has the molecular formula C9H14N2O2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID66104229
Molecular FormulaC9H14N2O2S2
Molecular Weight246.36 g/mol
Exact Mass246.05
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nccs1
InChIInChI=1S/C9H14N2O2S2/c1-7(4-12)5-14-6-8(13)11-9-10-2-3-15-9/h2-3,7,12H,4-6H2,1H3,(H,10,11,13)
InChIKeyVOAOHJOGMBHFAP-UHFFFAOYSA-N
XLogP1.44
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 66224258
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
N-(4-ethylphenyl)-2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylacetamide
CID 1412173
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 7746408
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylhexanoic acid
CID 117098014
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4033040
2-(4-amino-2-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 43302977
4-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylmethyl]benzoic acid
CID 94804434
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 66104229) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CC(CO)CSCC(=O)Nc1nccs1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VOAOHJOGMBHFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S2/c1-7(4-12)5-14-6-8(13)11-9-10-2-3-15-9/h2-3,7,12H,4-6H2,1H3,(H,10,11,13).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 246.36 g/mol, XLogP of 1.44, 6 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-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 66104229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).