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

C9H10ClN3OS — CID 103408272

IUPAC(3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnnn2C)c1Cl
InChIInChI=1S/C9H10ClN3OS/c1-5-4-15-9(7(5)10)8(14)6-3-11-12-13(6)2/h3-4,8,14H,1-2H3
InChIKeyYJLDCIYHNKGMLR-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.92
Rot. Bonds2

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

(3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 103408272) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID103408272
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name(3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
SMILESCc1csc(C(O)c2cnnn2C)c1Cl
InChIInChI=1S/C9H10ClN3OS/c1-5-4-15-9(7(5)10)8(14)6-3-11-12-13(6)2/h3-4,8,14H,1-2H3
InChIKeyYJLDCIYHNKGMLR-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 130594760
(4-Bromo-5-chlorothiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 102830038
(4-Bromo-5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanol
CID 102830282
(3-Chloro-4-methylthiophen-2-yl)-pyrazin-2-ylmethanol
CID 103408009
(3-Chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 103408271
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-(3-chloro-4-methylthiophen-2-yl)methanol
CID 106465454
1-(3-Methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045895
1-(4-Chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046160
1-(3-Chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065597
1-(3-Chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065648
1-(3-Ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065669

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol (CID 103408272) is (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol is Cc1csc(C(O)c2cnnn2C)c1Cl.
What is the InChIKey of (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is YJLDCIYHNKGMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-5-4-15-9(7(5)10)8(14)6-3-11-12-13(6)2/h3-4,8,14H,1-2H3.
What are the key properties of (3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol?
(3-chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 243.72 g/mol, XLogP of 1.92, 2 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-methyltriazol-4-yl)methanol is sourced from PubChem (CID 103408272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).