(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

C14H14N6OS — CID 91814760

IUPAC(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C14H14N6OS/c1-10-12(22-14(16-10)18-5-2-3-6-18)13(21)19-8-11(9-19)20-7-4-15-17-20/h2-7,11H,8-9H2,1H3
InChIKeyUXZSFYAGTQOBNJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.53
Rot. Bonds3

About (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone

(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (PubChem CID 91814760) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
PubChem CID91814760
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
SMILESCc1nc(-n2cccc2)sc1C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C14H14N6OS/c1-10-12(22-14(16-10)18-5-2-3-6-18)13(21)19-8-11(9-19)20-7-4-15-17-20/h2-7,11H,8-9H2,1H3
InChIKeyUXZSFYAGTQOBNJ-UHFFFAOYSA-N
XLogP1.53
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone (CID 91814760) is (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is Cc1nc(-n2cccc2)sc1C(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is UXZSFYAGTQOBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c1-10-12(22-14(16-10)18-5-2-3-6-18)13(21)19-8-11(9-19)20-7-4-15-17-20/h2-7,11H,8-9H2,1H3.
What are the key properties of (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone?
(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 314.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 91814760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).