N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C15H16F3N5OS — CID 74250606

IUPACN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C15H16F3N5OS/c1-9(7-23-12(15(16,17)18)5-10(2)21-23)6-19-13(24)11-8-22-3-4-25-14(22)20-11/h3-5,8-9H,6-7H2,1-2H3,(H,19,24)
InChIKeyTXDBFISXVSEIMY-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.99
Rot. Bonds5

About N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 74250606) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID74250606
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC NameN-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cn3ccsc3n2)n1
InChIInChI=1S/C15H16F3N5OS/c1-9(7-23-12(15(16,17)18)5-10(2)21-23)6-19-13(24)11-8-22-3-4-25-14(22)20-11/h3-5,8-9H,6-7H2,1-2H3,(H,19,24)
InChIKeyTXDBFISXVSEIMY-UHFFFAOYSA-N
XLogP2.99
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-Dimethylpyrazol-1-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 2997814
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50950166
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)azetidin-1-yl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 50953495
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-5-isopropyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50964579
N-cyclopropyl-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50984047
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 53588532
1-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56780202
N-[2-methoxy-1-(1-methyl-1H-pyrazol-5-yl)ethyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70717198
6-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}imidazo[2,1-b][1,3]thiazole
CID 70727112
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-isopropyl-1H-pyrazole-4-carboxamide
CID 70728734
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70744611
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
CID 71802111

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 74250606) is N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1cc(C(F)(F)F)n(CC(C)CNC(=O)c2cn3ccsc3n2)n1.
What is the InChIKey of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is TXDBFISXVSEIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-9(7-23-12(15(16,17)18)5-10(2)21-23)6-19-13(24)11-8-22-3-4-25-14(22)20-11/h3-5,8-9H,6-7H2,1-2H3,(H,19,24).
What are the key properties of N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 74250606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).