1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

C9H8ClN3OS — CID 43798150

IUPAC1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)n1cncn1
InChIInChI=1S/C9H8ClN3OS/c1-6(13-5-11-4-12-13)9(14)7-2-3-8(10)15-7/h2-6H,1H3
InChIKeyKSYUPTUTZSLRSV-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.44
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 43798150) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID43798150
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCC(C(=O)c1ccc(Cl)s1)n1cncn1
InChIInChI=1S/C9H8ClN3OS/c1-6(13-5-11-4-12-13)9(14)7-2-3-8(10)15-7/h2-6H,1H3
InChIKeyKSYUPTUTZSLRSV-UHFFFAOYSA-N
XLogP2.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(5-chlorothiophen-2-yl)butyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 100642909
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2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
(3S)-3-(1,2,4-triazol-1-yl)butan-2-one
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1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
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5-chloro-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]thiophene-2-carboxamide
CID 85018454
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5-methyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 43071036
1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
(2S)-N-[2-(4-chlorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34947799
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one (CID 43798150) is 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)c1ccc(Cl)s1)n1cncn1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is KSYUPTUTZSLRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c1-6(13-5-11-4-12-13)9(14)7-2-3-8(10)15-7/h2-6H,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 241.70 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 43798150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).