5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole

C11H16F2N2S — CID 84803170

IUPAC5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCNCC2)sc1C(F)F
InChIInChI=1S/C11H16F2N2S/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3
InChIKeyDUTRGFLKDFMNEH-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.93
Rot. Bonds3

About 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole

5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole (PubChem CID 84803170) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
PubChem CID84803170
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
SMILESCc1nc(CC2CCNCC2)sc1C(F)F
InChIInChI=1S/C11H16F2N2S/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3
InChIKeyDUTRGFLKDFMNEH-UHFFFAOYSA-N
XLogP2.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
2,5-dimethyl-4-(piperidin-4-ylmethyl)-1,3-thiazole
CID 105464466
5-(fluoromethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84792288
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]ethanamine
CID 115088128
4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 167926834
4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-4-yl]propan-1-ol
CID 115088115

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole (CID 84803170) is 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole is Cc1nc(CC2CCNCC2)sc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
The InChIKey is DUTRGFLKDFMNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c1-7-10(11(12)13)16-9(15-7)6-8-2-4-14-5-3-8/h8,11,14H,2-6H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole?
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole has a molecular weight of 246.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84803170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).