1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone

C10H10ClN3OS — CID 103407745

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1csc(C(=O)Cc2ncnn2C)c1Cl
InChIInChI=1S/C10H10ClN3OS/c1-6-4-16-10(9(6)11)7(15)3-8-12-5-13-14(8)2/h4-5H,3H2,1-2H3
InChIKeyQHXBNLDBBQIZTH-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.26
Rot. Bonds3

About 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone

1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (PubChem CID 103407745) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
PubChem CID103407745
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
SMILESCc1csc(C(=O)Cc2ncnn2C)c1Cl
InChIInChI=1S/C10H10ClN3OS/c1-6-4-16-10(9(6)11)7(15)3-8-12-5-13-14(8)2/h4-5H,3H2,1-2H3
InChIKeyQHXBNLDBBQIZTH-UHFFFAOYSA-N
XLogP2.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 103407961
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
2-(2-methyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114979871
2-(4-tert-butylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407561
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
1-(4-methyl-3-pyridinyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 114877397
1-(2,5-dibromothiophen-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 107967649
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 103407763
1-(4-amino-3-chlorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116581918
1-(3-chloro-4-methylthiophen-2-yl)-2-ethoxyethanone
CID 103407790
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
CID 103407395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone (CID 103407745) is 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone is Cc1csc(C(=O)Cc2ncnn2C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
The InChIKey is QHXBNLDBBQIZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6-4-16-10(9(6)11)7(15)3-8-12-5-13-14(8)2/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone?
1-(3-chloro-4-methylthiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone has a molecular weight of 255.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 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-(2-methyl-1,2,4-triazol-3-yl)ethanone is sourced from PubChem (CID 103407745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).