2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole

C9H11ClF3N3O2S2 — CID 61051524

IUPAC2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H11ClF3N3O2S2/c10-8-14-5-7(19-8)20(17,18)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyMNSZHCCLCUNULZ-UHFFFAOYSA-N
MW349.79 g/mol
LogP1.67
Rot. Bonds3

About 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole

2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole (PubChem CID 61051524) has the molecular formula C9H11ClF3N3O2S2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole
PubChem CID61051524
Molecular FormulaC9H11ClF3N3O2S2
Molecular Weight349.79 g/mol
Exact Mass348.99
IUPAC Name2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole
SMILESO=S(=O)(c1cnc(Cl)s1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H11ClF3N3O2S2/c10-8-14-5-7(19-8)20(17,18)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2
InChIKeyMNSZHCCLCUNULZ-UHFFFAOYSA-N
XLogP1.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Trifluoromethyl)-1,3-thiazole-5-sulfonamide
CID 106784107
2-(Difluoromethyl)-1,3-thiazole-5-sulfonamide
CID 146571332
2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43455886
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 54979823
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010800
2-chloro-N-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010851
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 60892146
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61044861
2-chloro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045588
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045951
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]-N,N-dimethylacetamide
CID 61046141
2-chloro-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046507

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole (CID 61051524) is 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole is O=S(=O)(c1cnc(Cl)s1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
The InChIKey is MNSZHCCLCUNULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O2S2/c10-8-14-5-7(19-8)20(17,18)16-3-1-15(2-4-16)6-9(11,12)13/h5H,1-4,6H2.
What are the key properties of 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole?
2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole has a molecular weight of 349.79 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]sulfonyl-1,3-thiazole is sourced from PubChem (CID 61051524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).