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

C7H8N4OS — CID 164652926

IUPAC[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cnnn1Cc1ccns1
InChIInChI=1S/C7H8N4OS/c12-5-6-3-8-10-11(6)4-7-1-2-9-13-7/h1-3,12H,4-5H2
InChIKeyDCZAKDFCKGQPRM-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.28
Rot. Bonds3

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

[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol (PubChem CID 164652926) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol
PubChem CID164652926
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol
SMILESOCc1cnnn1Cc1ccns1
InChIInChI=1S/C7H8N4OS/c12-5-6-3-8-10-11(6)4-7-1-2-9-13-7/h1-3,12H,4-5H2
InChIKeyDCZAKDFCKGQPRM-UHFFFAOYSA-N
XLogP0.28
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3-chlorophenyl)methyl]triazol-4-yl]methanol
CID 82203683
3-[5-(hydroxymethyl)triazol-1-yl]propane-1,2-diol
CID 82210393
[3-(3-fluoropropyl)triazol-4-yl]methanol
CID 130566339
[3-(2-methoxyethyl)triazol-4-yl]methanol
CID 112757669
3-(3-benzyltriazol-4-yl)propan-1-ol
CID 178053444
(3-methyltriazol-4-yl)methanol
CID 12654348
2-(3-benzyltriazol-4-yl)ethanamine;hydrochloride
CID 90489043
1,2-thiazol-5-ylmethylhydrazine
CID 130826284
1-[5-(hydroxymethyl)triazol-1-yl]-4,4-dimethylpentan-3-one
CID 177087440
2-(1,2-thiazol-5-ylmethylamino)ethanol
CID 165405736
3-(3-benzyltriazol-4-yl)propanoic acid
CID 83644743
N-(1,2-thiazol-5-ylmethyl)ethanamine
CID 55287367

Frequently Asked Questions

What is the IUPAC name of [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol (CID 164652926) is [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol is OCc1cnnn1Cc1ccns1.
What is the InChIKey of [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol?
The InChIKey is DCZAKDFCKGQPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c12-5-6-3-8-10-11(6)4-7-1-2-9-13-7/h1-3,12H,4-5H2.
What are the key properties of [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol?
[3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol has a molecular weight of 196.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2-thiazol-5-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 164652926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).