4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole

C15H16F2N2S — CID 60528753

IUPAC4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCCN(c2nc(-c3ccc(F)c(F)c3)cs2)C1
InChIInChI=1S/C15H16F2N2S/c1-10-3-2-6-19(8-10)15-18-14(9-20-15)11-4-5-12(16)13(17)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyPABSIMKFKOXQJE-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.32
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole

4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole (PubChem CID 60528753) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
PubChem CID60528753
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
SMILESCC1CCCN(c2nc(-c3ccc(F)c(F)c3)cs2)C1
InChIInChI=1S/C15H16F2N2S/c1-10-3-2-6-19(8-10)15-18-14(9-20-15)11-4-5-12(16)13(17)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3
InChIKeyPABSIMKFKOXQJE-UHFFFAOYSA-N
XLogP4.32
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole (CID 60528753) is 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole is CC1CCCN(c2nc(-c3ccc(F)c(F)c3)cs2)C1.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
The InChIKey is PABSIMKFKOXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c1-10-3-2-6-19(8-10)15-18-14(9-20-15)11-4-5-12(16)13(17)7-11/h4-5,7,9-10H,2-3,6,8H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole?
4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole has a molecular weight of 294.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 60528753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).