N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C17H16F3N3OS — CID 134798652

IUPACN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)CNC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C17H16F3N3OS/c1-10(2)7-21-15(24)13-8-23-9-14(25-16(23)22-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,8-10H,7H2,1-2H3,(H,21,24)
InChIKeyKJLBKKCWSHFAAP-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.47
Rot. Bonds4

About N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134798652) has the molecular formula C17H16F3N3OS and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134798652
Molecular FormulaC17H16F3N3OS
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCC(C)CNC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1
InChIInChI=1S/C17H16F3N3OS/c1-10(2)7-21-15(24)13-8-23-9-14(25-16(23)22-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,8-10H,7H2,1-2H3,(H,21,24)
InChIKeyKJLBKKCWSHFAAP-UHFFFAOYSA-N
XLogP4.47
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798655
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
N-[(3,4-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798964
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796721
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797239
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799622
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796025
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798525
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797314
6-(3-fluorophenyl)-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876493

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134798652) is N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is CC(C)CNC(=O)c1cn2cc(-c3ccc(C(F)(F)F)cc3)sc2n1.
What is the InChIKey of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is KJLBKKCWSHFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3OS/c1-10(2)7-21-15(24)13-8-23-9-14(25-16(23)22-13)11-3-5-12(6-4-11)17(18,19)20/h3-6,8-10H,7H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134798652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).