2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

C9H12ClF3N2O2S2 — CID 61045590

IUPAC2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H12ClF3N2O2S2/c1-5(2)15(4-9(11,12)13)19(16,17)7-6(3)14-8(10)18-7/h5H,4H2,1-3H3
InChIKeyPNSVIXPONVAYLK-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide

2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61045590) has the molecular formula C9H12ClF3N2O2S2 and a molecular weight of 336.79 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61045590
Molecular FormulaC9H12ClF3N2O2S2
Molecular Weight336.79 g/mol
Exact Mass336.00
IUPAC Name2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H12ClF3N2O2S2/c1-5(2)15(4-9(11,12)13)19(16,17)7-6(3)14-8(10)18-7/h5H,4H2,1-3H3
InChIKeyPNSVIXPONVAYLK-UHFFFAOYSA-N
XLogP3.07
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 12094251
2-(4,4-difluorobut-3-enylsulfanyl)-N,N-diethyl-4-methyl-1,3-thiazole-5-sulfonamide
CID 21850494
2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-sulfonyl chloride
CID 45594304
2-chloro-N-(2-fluorocyclopropyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 60127658
2-chloro-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 43456163
2-chloro-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010751
2-chloro-N-cyclopropyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 55010802
2-chloro-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 60891755
2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61042566
2-chloro-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61045044
N-butyl-2-chloro-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046129
2-chloro-N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
CID 61046481

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61045590) is 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PNSVIXPONVAYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF3N2O2S2/c1-5(2)15(4-9(11,12)13)19(16,17)7-6(3)14-8(10)18-7/h5H,4H2,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 336.79 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61045590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).