(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone

C10H10ClN3OS — CID 115802433

IUPAC(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3
InChIKeyKJMGZCQSRRLYAZ-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.63
Rot. Bonds4

About (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone

(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone (PubChem CID 115802433) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
PubChem CID115802433
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone
SMILESCCCn1nncc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H10ClN3OS/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3
InChIKeyKJMGZCQSRRLYAZ-UHFFFAOYSA-N
XLogP2.63
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-propyltriazol-4-yl)-(1,3-thiazol-5-yl)methanone
CID 114686087
(5-chlorothiophen-2-yl)-(3-phenyltriazol-4-yl)methanone
CID 115806451
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 114685686
(5-bromofuran-2-yl)-(3-propyltriazol-4-yl)methanone
CID 115802309
3-amino-3-methyl-1-(3-propyltriazol-4-yl)butan-1-one
CID 114692097
cyclopenten-1-yl-(3-propyltriazol-4-yl)methanone
CID 103448123
(5-chlorothiophen-2-yl)-(2-methylpyrazol-3-yl)methanone
CID 114972633
(3-propyltriazol-4-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 105129518
(4-methylcyclohexyl)-(3-propyltriazol-4-yl)methanone
CID 114685710
1-(3-propyltriazol-4-yl)octan-1-one
CID 115802389
(5-chlorothiophen-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802864
2-amino-2-phenyl-1-(3-propyltriazol-4-yl)ethanone
CID 114691818

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone (CID 115802433) is (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone is CCCn1nncc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone?
The InChIKey is KJMGZCQSRRLYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-2-5-14-7(6-12-13-14)10(15)8-3-4-9(11)16-8/h3-4,6H,2,5H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone?
(5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone has a molecular weight of 255.73 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-propyltriazol-4-yl)methanone is sourced from PubChem (CID 115802433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).