(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol

C14H12ClN3OS — CID 103408271

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnnn2-c2ccccc2)c1Cl
InChIInChI=1S/C14H12ClN3OS/c1-9-8-20-14(12(9)15)13(19)11-7-16-17-18(11)10-5-3-2-4-6-10/h2-8,13,19H,1H3
InChIKeyQZOKSLNJIOVYCY-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.37
Rot. Bonds3

About (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol

(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol (PubChem CID 103408271) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
PubChem CID103408271
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnnn2-c2ccccc2)c1Cl
InChIInChI=1S/C14H12ClN3OS/c1-9-8-20-14(12(9)15)13(19)11-7-16-17-18(11)10-5-3-2-4-6-10/h2-8,13,19H,1H3
InChIKeyQZOKSLNJIOVYCY-UHFFFAOYSA-N
XLogP3.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(S)-hydroxy(thiophen-2-yl)methyl]triazol-1-yl]benzonitrile
CID 155935486
[2-(4-Thiophen-3-yltriazol-1-yl)phenyl]methanol
CID 175169456
[2-(4-Thiophen-2-yltriazol-1-yl)phenyl]methanol
CID 175169521
(3-Chlorothiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 80641159
(4-Bromo-5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 102829929
(3-Chloro-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 103404328
(3-Chloro-4-methylthiophen-2-yl)-(2-ethylpyrazol-3-yl)methanol
CID 103407999
(3-Chloro-4-methylthiophen-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 103408000
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromothiophen-3-yl)-(3-phenyltriazol-4-yl)methanol
CID 105128594
1-(3-Phenyltriazol-4-yl)-4-thiophen-2-ylbutan-1-ol
CID 105128651
1-(3-Phenyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128666

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol (CID 103408271) is (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol is Cc1csc(C(O)c2cnnn2-c2ccccc2)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
The InChIKey is QZOKSLNJIOVYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-9-8-20-14(12(9)15)13(19)11-7-16-17-18(11)10-5-3-2-4-6-10/h2-8,13,19H,1H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol has a molecular weight of 305.79 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol is sourced from PubChem (CID 103408271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).