4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole

C8H9ClF2N2S — CID 164648549

IUPAC4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1(F)CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H9ClF2N2S/c9-6-5-14-7(12-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2
InChIKeyMDVRLSOIHKDHHN-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole

4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole (PubChem CID 164648549) has the molecular formula C8H9ClF2N2S and a molecular weight of 238.69 g/mol. Its IUPAC name is 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
PubChem CID164648549
Molecular FormulaC8H9ClF2N2S
Molecular Weight238.69 g/mol
Exact Mass238.01
IUPAC Name4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
SMILESFC1(F)CCN(c2nc(Cl)cs2)CC1
InChIInChI=1S/C8H9ClF2N2S/c9-6-5-14-7(12-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2
InChIKeyMDVRLSOIHKDHHN-UHFFFAOYSA-N
XLogP3.03
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-1-yl)-1,3-thiazol-4-amine hydrochloride
CID 17490803
2-Piperidinyl(trimethylstannyl)thiazole
CID 59118286
2-Piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 68716949
4-(4,4-Difluoropiperidin-1-yl)-2-ethynyl-1,3-thiazole
CID 169266296
4-Bromo-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole
CID 169266631
4-Bromo-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79399927
4-Bromo-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 79400048
4-chloro-N-(5,5,5-trifluoropentyl)-1,3-thiazol-2-amine
CID 83152085
4-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83155974
4-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156445
4-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 83156585
4-chloro-N-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 83156607

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole (CID 164648549) is 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole is FC1(F)CCN(c2nc(Cl)cs2)CC1.
What is the InChIKey of 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
The InChIKey is MDVRLSOIHKDHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2S/c9-6-5-14-7(12-6)13-3-1-8(10,11)2-4-13/h5H,1-4H2.
What are the key properties of 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole?
4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole has a molecular weight of 238.69 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 164648549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).