[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

C14H13N3OS — CID 82199114

IUPAC[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2-c2cccs2)cc1
InChIInChI=1S/C14H13N3OS/c1-10-4-6-11(7-5-10)17-14(12(9-18)15-16-17)13-3-2-8-19-13/h2-8,18H,9H2,1H3
InChIKeyKLFFFQOHDZCJKI-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.80
Rot. Bonds3

About [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol

[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82199114) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82199114
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESCc1ccc(-n2nnc(CO)c2-c2cccs2)cc1
InChIInChI=1S/C14H13N3OS/c1-10-4-6-11(7-5-10)17-14(12(9-18)15-16-17)13-3-2-8-19-13/h2-8,18H,9H2,1H3
InChIKeyKLFFFQOHDZCJKI-UHFFFAOYSA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol (CID 82199114) is [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is Cc1ccc(-n2nnc(CO)c2-c2cccs2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is KLFFFQOHDZCJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-4-6-11(7-5-10)17-14(12(9-18)15-16-17)13-3-2-8-19-13/h2-8,18H,9H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
[1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 271.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82199114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).