N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C12H10F3N5OS — CID 78901795

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3ccsc3n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5OS/c1-19-6-8(9(18-19)12(13,14)15)10(21)16-4-7-5-20-2-3-22-11(20)17-7/h2-3,5-6H,4H2,1H3,(H,16,21)
InChIKeyCHGYWTRWWMBFIS-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.08
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 78901795) has the molecular formula C12H10F3N5OS and a molecular weight of 329.31 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID78901795
Molecular FormulaC12H10F3N5OS
Molecular Weight329.31 g/mol
Exact Mass329.06
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cn3ccsc3n2)c(C(F)(F)F)n1
InChIInChI=1S/C12H10F3N5OS/c1-19-6-8(9(18-19)12(13,14)15)10(21)16-4-7-5-20-2-3-22-11(20)17-7/h2-3,5-6H,4H2,1H3,(H,16,21)
InChIKeyCHGYWTRWWMBFIS-UHFFFAOYSA-N
XLogP2.08
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 78901795) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cn3ccsc3n2)c(C(F)(F)F)n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CHGYWTRWWMBFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5OS/c1-19-6-8(9(18-19)12(13,14)15)10(21)16-4-7-5-20-2-3-22-11(20)17-7/h2-3,5-6H,4H2,1H3,(H,16,21).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78901795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).