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

C11H15F3N2O3S2 — CID 60983851

IUPACN-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H15F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16(5-11(12,13)14)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyMWZRQXQJVCBSBW-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.10
Rot. Bonds5

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

N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (PubChem CID 60983851) has the molecular formula C11H15F3N2O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
PubChem CID60983851
Molecular FormulaC11H15F3N2O3S2
Molecular Weight344.38 g/mol
Exact Mass344.05
IUPAC NameN-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C11H15F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16(5-11(12,13)14)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3,(H,15,17)
InChIKeyMWZRQXQJVCBSBW-UHFFFAOYSA-N
XLogP2.10
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide (CID 60983851) is N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is Cc1[nH]c(=O)sc1S(=O)(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
The InChIKey is MWZRQXQJVCBSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3S2/c1-6-9(20-10(17)15-6)21(18,19)16(5-11(12,13)14)7(2)8-3-4-8/h7-8H,3-5H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide?
N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide has a molecular weight of 344.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-methyl-2-oxo-N-(2,2,2-trifluoroethyl)-3H-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 60983851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).