(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone

C10H9ClN4OS — CID 131701891

IUPAC(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(n2nccn2)C1
InChIInChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-12-3-4-13-15/h1-4,7H,5-6H2
InChIKeyHDBYIGWPVFECJV-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.69
Rot. Bonds2

About (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone

(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone (PubChem CID 131701891) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
PubChem CID131701891
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)s1)N1CC(n2nccn2)C1
InChIInChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-12-3-4-13-15/h1-4,7H,5-6H2
InChIKeyHDBYIGWPVFECJV-UHFFFAOYSA-N
XLogP1.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone (CID 131701891) is (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone is O=C(c1ccc(Cl)s1)N1CC(n2nccn2)C1.
What is the InChIKey of (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
The InChIKey is HDBYIGWPVFECJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-9-2-1-8(17-9)10(16)14-5-7(6-14)15-12-3-4-13-15/h1-4,7H,5-6H2.
What are the key properties of (5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone?
(5-chlorothiophen-2-yl)-[3-(triazol-2-yl)azetidin-1-yl]methanone has a molecular weight of 268.73 g/mol, XLogP of 1.69, 2 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-(triazol-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 131701891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).