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

C11H16N4OS — CID 131907874

IUPAC2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCc1nc(-c2scnc2C)n(CC(C)(C)O)n1
InChIInChI=1S/C11H16N4OS/c1-7-9(17-6-12-7)10-13-8(2)14-15(10)5-11(3,4)16/h6,16H,5H2,1-4H3
InChIKeyOZDWJCCIISVAQE-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.79
Rot. Bonds3

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

2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 131907874) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID131907874
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol
SMILESCc1nc(-c2scnc2C)n(CC(C)(C)O)n1
InChIInChI=1S/C11H16N4OS/c1-7-9(17-6-12-7)10-13-8(2)14-15(10)5-11(3,4)16/h6,16H,5H2,1-4H3
InChIKeyOZDWJCCIISVAQE-UHFFFAOYSA-N
XLogP1.79
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 129396971
1-butyl-3-isopropyl-5-(4-methyl-1,3-thiazol-5-yl)-1H-1,2,4-triazole
CID 131931088
(2R)-2-(fluoromethyl)-4-[4-(2-methylpropyl)-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]morpholine
CID 164638860
2,4-Dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
CID 68969899
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 178623989
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(1,2,4-triazol-1-yl)propan-2-ol
CID 178623991
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 178623993
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-4-methyl-1-(1,2,4-triazol-1-yl)pentan-2-ol
CID 178624003
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 178624016
2-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 178624024
[5-[4-(2-Methoxyethyl)-1,2,4-triazol-3-yl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 55249771
5-(1-ethyl-1H-1,2,4-triazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 62793995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol (CID 131907874) is 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol is Cc1nc(-c2scnc2C)n(CC(C)(C)O)n1.
What is the InChIKey of 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is OZDWJCCIISVAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7-9(17-6-12-7)10-13-8(2)14-15(10)5-11(3,4)16/h6,16H,5H2,1-4H3.
What are the key properties of 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol?
2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 252.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 131907874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).