[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol

C14H14N4OS — CID 171470219

IUPAC[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol
SMILESCn1nc(Cc2ccc(CO)cc2)nc1-c1nccs1
InChIInChI=1S/C14H14N4OS/c1-18-13(14-15-6-7-20-14)16-12(17-18)8-10-2-4-11(9-19)5-3-10/h2-7,19H,8-9H2,1H3
InChIKeyBBXNPMPVGQZGQQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.02
Rot. Bonds4

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

[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol (PubChem CID 171470219) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol
PubChem CID171470219
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol
SMILESCn1nc(Cc2ccc(CO)cc2)nc1-c1nccs1
InChIInChI=1S/C14H14N4OS/c1-18-13(14-15-6-7-20-14)16-12(17-18)8-10-2-4-11(9-19)5-3-10/h2-7,19H,8-9H2,1H3
InChIKeyBBXNPMPVGQZGQQ-UHFFFAOYSA-N
XLogP2.02
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol with MolForge

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Related Compounds

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[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanol
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N-methyl-1-[4-(1,3-thiazol-2-yl)phenyl]methanamine
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2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
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[6-[[6-(1,3-thiazol-2-yl)-2-pyridinyl]amino]-3-pyridinyl]methanol
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5-(chloromethyl)-3-[(4-chlorophenyl)methyl]-1-methyl-1,2,4-triazole
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2-[(4-methoxyphenyl)methyl]-1,3-thiazole
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[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol
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2-[5-[[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]methyl]-2-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
CID 164875479
2-imino-2-[3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrazin-2-yl]ethanol
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Frequently Asked Questions

What is the IUPAC name of [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol (CID 171470219) is [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol is Cn1nc(Cc2ccc(CO)cc2)nc1-c1nccs1.
What is the InChIKey of [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol?
The InChIKey is BBXNPMPVGQZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-18-13(14-15-6-7-20-14)16-12(17-18)8-10-2-4-11(9-19)5-3-10/h2-7,19H,8-9H2,1H3.
What are the key properties of [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol?
[4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol has a molecular weight of 286.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-methyl-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 171470219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).