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

C11H14ClF3N2O2S2 — CID 61042566

IUPAC2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17(5-11(13,14)15)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3
InChIKeyPYVVFRTVBJEOID-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.46
Rot. Bonds5

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

2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 61042566) has the molecular formula C11H14ClF3N2O2S2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
PubChem CID61042566
Molecular FormulaC11H14ClF3N2O2S2
Molecular Weight362.83 g/mol
Exact Mass362.01
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17(5-11(13,14)15)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3
InChIKeyPYVVFRTVBJEOID-UHFFFAOYSA-N
XLogP3.46
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide (CID 61042566) is 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PYVVFRTVBJEOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2O2S2/c1-6-9(20-10(12)16-6)21(18,19)17(5-11(13,14)15)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 362.83 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 61042566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).