[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone

C10H12F2N2OS — CID 126819354

IUPAC[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CC(F)F)C2)ns1
InChIInChI=1S/C10H12F2N2OS/c1-6-2-8(13-16-6)10(15)14-4-7(5-14)3-9(11)12/h2,7,9H,3-5H2,1H3
InChIKeyYPKBCQIFJRUYNX-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.18
Rot. Bonds3

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

[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (PubChem CID 126819354) has the molecular formula C10H12F2N2OS and a molecular weight of 246.28 g/mol. Its IUPAC name is [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
PubChem CID126819354
Molecular FormulaC10H12F2N2OS
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(CC(F)F)C2)ns1
InChIInChI=1S/C10H12F2N2OS/c1-6-2-8(13-16-6)10(15)14-4-7(5-14)3-9(11)12/h2,7,9H,3-5H2,1H3
InChIKeyYPKBCQIFJRUYNX-UHFFFAOYSA-N
XLogP2.18
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The IUPAC name of [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone (CID 126819354) is [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone.
What is the SMILES notation for [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The canonical SMILES for [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is Cc1cc(C(=O)N2CC(CC(F)F)C2)ns1.
What is the InChIKey of [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
The InChIKey is YPKBCQIFJRUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2OS/c1-6-2-8(13-16-6)10(15)14-4-7(5-14)3-9(11)12/h2,7,9H,3-5H2,1H3.
What are the key properties of [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone?
[3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone has a molecular weight of 246.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethyl)azetidin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone is sourced from PubChem (CID 126819354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).