[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H13N5OS — CID 75473408

IUPAC[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H13N5OS/c21-15(14-9-22-10-16-14)19-6-12(7-19)20-8-13(17-18-20)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2
InChIKeyNCSDULNHOGLSMB-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.10
Rot. Bonds3

About [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 75473408) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID75473408
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CC(n2cc(-c3ccccc3)nn2)C1
InChIInChI=1S/C15H13N5OS/c21-15(14-9-22-10-16-14)19-6-12(7-19)20-8-13(17-18-20)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2
InChIKeyNCSDULNHOGLSMB-UHFFFAOYSA-N
XLogP2.10
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-thiophen-3-ylmethanone
CID 86264982
(1-methylpyrrol-2-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473419
(2-methylsulfanyl-3-pyridinyl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624921
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
1-[1-methyl-5-[3-(4-phenyltriazol-1-yl)azetidine-1-carbonyl]pyrrol-3-yl]ethanone
CID 75473404
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473439
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 75473451
N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
[(3S)-oxolan-3-yl]-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 97342620
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 75473408) is [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CC(n2cc(-c3ccccc3)nn2)C1.
What is the InChIKey of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is NCSDULNHOGLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c21-15(14-9-22-10-16-14)19-6-12(7-19)20-8-13(17-18-20)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2.
What are the key properties of [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 311.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenyltriazol-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 75473408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).