2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

C17H18F3N3O2S2 — CID 53151726

IUPAC2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c(C(C)C)nc2s1
InChIInChI=1S/C17H18F3N3O2S2/c1-10(2)14-15(23-9-11(3)26-16(23)22-14)27(24,25)21-8-12-4-6-13(7-5-12)17(18,19)20/h4-7,9-10,21H,8H2,1-3H3
InChIKeyUWXZBJWGXOMPJH-UHFFFAOYSA-N
MW417.48 g/mol
LogP4.32
Rot. Bonds5

About 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide

2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (PubChem CID 53151726) has the molecular formula C17H18F3N3O2S2 and a molecular weight of 417.48 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
PubChem CID53151726
Molecular FormulaC17H18F3N3O2S2
Molecular Weight417.48 g/mol
Exact Mass417.08
IUPAC Name2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
SMILESCc1cn2c(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c(C(C)C)nc2s1
InChIInChI=1S/C17H18F3N3O2S2/c1-10(2)14-15(23-9-11(3)26-16(23)22-14)27(24,25)21-8-12-4-6-13(7-5-12)17(18,19)20/h4-7,9-10,21H,8H2,1-3H3
InChIKeyUWXZBJWGXOMPJH-UHFFFAOYSA-N
XLogP4.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide (CID 53151726) is 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is Cc1cn2c(S(=O)(=O)NCc3ccc(C(F)(F)F)cc3)c(C(C)C)nc2s1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
The InChIKey is UWXZBJWGXOMPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S2/c1-10(2)14-15(23-9-11(3)26-16(23)22-14)27(24,25)21-8-12-4-6-13(7-5-12)17(18,19)20/h4-7,9-10,21H,8H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide?
2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide has a molecular weight of 417.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide is sourced from PubChem (CID 53151726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).