4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole

C12H18F2N2S — CID 167114562

IUPAC4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CCN(C(C)c2scnc2C(F)F)CC1
InChIInChI=1S/C12H18F2N2S/c1-8-3-5-16(6-4-8)9(2)11-10(12(13)14)15-7-17-11/h7-9,12H,3-6H2,1-2H3
InChIKeyKNZCDVZRJNMZII-UHFFFAOYSA-N
MW260.35 g/mol
LogP3.87
Rot. Bonds3

About 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole

4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole (PubChem CID 167114562) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole
PubChem CID167114562
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC Name4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole
SMILESCC1CCN(C(C)c2scnc2C(F)F)CC1
InChIInChI=1S/C12H18F2N2S/c1-8-3-5-16(6-4-8)9(2)11-10(12(13)14)15-7-17-11/h7-9,12H,3-6H2,1-2H3
InChIKeyKNZCDVZRJNMZII-UHFFFAOYSA-N
XLogP3.87
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole (CID 167114562) is 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole is CC1CCN(C(C)c2scnc2C(F)F)CC1.
What is the InChIKey of 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is KNZCDVZRJNMZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-8-3-5-16(6-4-8)9(2)11-10(12(13)14)15-7-17-11/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole?
4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 260.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 167114562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).