1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

C10H12ClN3OS — CID 107065597

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1csc(C(O)Cc2cn(C)nn2)c1Cl
InChIInChI=1S/C10H12ClN3OS/c1-6-5-16-10(9(6)11)8(15)3-7-4-14(2)13-12-7/h4-5,8,15H,3H2,1-2H3
InChIKeyBWJHYOHLCLNKJT-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.11
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol

1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065597) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065597
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCc1csc(C(O)Cc2cn(C)nn2)c1Cl
InChIInChI=1S/C10H12ClN3OS/c1-6-5-16-10(9(6)11)8(15)3-7-4-14(2)13-12-7/h4-5,8,15H,3H2,1-2H3
InChIKeyBWJHYOHLCLNKJT-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Chloro-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 103408205
(3-Chloro-4-methylthiophen-2-yl)-(3-phenyltriazol-4-yl)methanol
CID 103408271
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
1-(1-Methyltriazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 107045765
2-(1-Methyltriazol-4-yl)-1-thiophen-3-ylethanol
CID 107045842
2-(1-Methyltriazol-4-yl)-1-thiophen-2-ylethanol
CID 107045858
1-(3-Methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045895
1-(5-Methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045908
1-(5-Chlorothiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045954
1-(5-Ethylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045978
1-(2,5-Dimethylthiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107045985
2-(3-Methylthiophen-2-yl)-1-(1-methyltriazol-4-yl)propan-2-ol
CID 107046034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065597) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is Cc1csc(C(O)Cc2cn(C)nn2)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is BWJHYOHLCLNKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-6-5-16-10(9(6)11)8(15)3-7-4-14(2)13-12-7/h4-5,8,15H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol?
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 257.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).