[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol

C10H12ClF3N2OS — CID 80693345

IUPAC[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCC(C(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H12ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h6,17H,1-5H2
InChIKeyKVYASRPZSRUNSL-UHFFFAOYSA-N
MW300.73 g/mol
LogP3.07
Rot. Bonds2

About [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol (PubChem CID 80693345) has the molecular formula C10H12ClF3N2OS and a molecular weight of 300.73 g/mol. Its IUPAC name is [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
PubChem CID80693345
Molecular FormulaC10H12ClF3N2OS
Molecular Weight300.73 g/mol
Exact Mass300.03
IUPAC Name[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCC(C(F)(F)F)CC2)nc1Cl
InChIInChI=1S/C10H12ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h6,17H,1-5H2
InChIKeyKVYASRPZSRUNSL-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(chloromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 80687405
4-Chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 80692082
[4-Chloro-2-[ethyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693002
[4-Chloro-2-[methyl(3,3,3-trifluoropropyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693119
[4-Chloro-2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693228
[4-Chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanol
CID 80693230
[4-Chloro-2-[3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 80693233
[4-Chloro-2-[propyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693338
[4-Chloro-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693339
[4-Chloro-2-[methyl(2,2,2-trifluoroethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80693627
2-[[4-Chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107481017
2-[[4-Chloro-5-(hydroxymethyl)-1,3-thiazol-2-yl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107481087

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol (CID 80693345) is [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCC(C(F)(F)F)CC2)nc1Cl.
What is the InChIKey of [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
The InChIKey is KVYASRPZSRUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2OS/c11-8-7(5-17)18-9(15-8)16-3-1-6(2-4-16)10(12,13)14/h6,17H,1-5H2.
What are the key properties of [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol has a molecular weight of 300.73 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80693345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).