(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol

C12H10N4OS — CID 114685473

IUPAC(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
SMILESOC(c1cscn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c17-12(10-7-18-8-13-10)11-6-14-15-16(11)9-4-2-1-3-5-9/h1-8,12,17H
InChIKeyQZBVDDOFNXCAHF-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.81
Rot. Bonds3

About (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol

(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol (PubChem CID 114685473) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol.

Molecular Properties

Compound Name(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
PubChem CID114685473
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
SMILESOC(c1cscn1)c1cnnn1-c1ccccc1
InChIInChI=1S/C12H10N4OS/c17-12(10-7-18-8-13-10)11-6-14-15-16(11)9-4-2-1-3-5-9/h1-8,12,17H
InChIKeyQZBVDDOFNXCAHF-UHFFFAOYSA-N
XLogP1.81
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
(2-chlorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684777
(3-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684808
(3,4-difluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684827
1,3-thiazol-4-yl(thiophen-2-yl)methanol
CID 78923935
(5-bromo-2-methylphenyl)-(3-phenyltriazol-4-yl)methanol
CID 115835877
(3-methyltriazol-4-yl)-(1,3-thiazol-4-yl)methanamine
CID 114688732
(3-chloro-4-iodophenyl)-(3-phenyltriazol-4-yl)methanol
CID 103217123
(3-methoxyphenyl)-(3-phenyltriazol-4-yl)methanol
CID 114684694
(3-chloro-5-fluorophenyl)-(3-phenyltriazol-4-yl)methanol
CID 114685520
(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 114688571

Frequently Asked Questions

What is the IUPAC name of (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The IUPAC name of (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol (CID 114685473) is (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol.
What is the SMILES notation for (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The canonical SMILES for (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol is OC(c1cscn1)c1cnnn1-c1ccccc1.
What is the InChIKey of (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol?
The InChIKey is QZBVDDOFNXCAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c17-12(10-7-18-8-13-10)11-6-14-15-16(11)9-4-2-1-3-5-9/h1-8,12,17H.
What are the key properties of (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol?
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol has a molecular weight of 258.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol is sourced from PubChem (CID 114685473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).