2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol

C11H19NOS2 — CID 82426364

IUPAC2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CSC(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NOS2/c1-7(2)14-6-9-12-8(3)10(15-9)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyAWZXFBAXCZEUPK-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82426364) has the molecular formula C11H19NOS2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82426364
Molecular FormulaC11H19NOS2
Molecular Weight245.41 g/mol
Exact Mass245.09
IUPAC Name2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCc1nc(CSC(C)C)sc1C(C)(C)O
InChIInChI=1S/C11H19NOS2/c1-7(2)14-6-9-12-8(3)10(15-9)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyAWZXFBAXCZEUPK-UHFFFAOYSA-N
XLogP3.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82429293
2-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426540
2-[4-methyl-2-(propan-2-ylsulfonylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82426459
2-[2-(propan-2-ylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432132
2-[4-methyl-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82427519
5-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82426366
2-[2-[2-(4-fluorophenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426889
2-[2-[2-(2,6-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82426840
2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
CID 82438989
5-bromo-2-(propan-2-ylsulfanylmethyl)-1,3-thiazole
CID 117188294
2-(propan-2-ylsulfanylmethyl)-1,3-thiazole-4-carboxylic acid
CID 65134443
1-[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]ethanol
CID 62693449

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82426364) is 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol is Cc1nc(CSC(C)C)sc1C(C)(C)O.
What is the InChIKey of 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is AWZXFBAXCZEUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS2/c1-7(2)14-6-9-12-8(3)10(15-9)11(4,5)13/h7,13H,6H2,1-5H3.
What are the key properties of 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 245.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82426364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).