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

C17H14F3N3OS — CID 134796721

IUPACN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCC1CC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)12-3-1-2-11(6-12)14-9-23-8-13(22-16(23)25-14)15(24)21-7-10-4-5-10/h1-3,6,8-10H,4-5,7H2,(H,21,24)
InChIKeyTUJNZDKUONRJQZ-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.22
Rot. Bonds4

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

N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134796721) has the molecular formula C17H14F3N3OS and a molecular weight of 365.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134796721
Molecular FormulaC17H14F3N3OS
Molecular Weight365.38 g/mol
Exact Mass365.08
IUPAC NameN-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCC1CC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1
InChIInChI=1S/C17H14F3N3OS/c18-17(19,20)12-3-1-2-11(6-12)14-9-23-8-13(22-16(23)25-14)15(24)21-7-10-4-5-10/h1-3,6,8-10H,4-5,7H2,(H,21,24)
InChIKeyTUJNZDKUONRJQZ-UHFFFAOYSA-N
XLogP4.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798879
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797239
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796025
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
N-(2-morpholin-4-ylethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799622
N-(pyridin-3-ylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798525
N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799176
N-(cyclohexylmethyl)-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798271
ethyl 1-[2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]piperidine-4-carboxylate
CID 134799350
N-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798652
N-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798391

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134796721) is N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCC1CC1)c1cn2cc(-c3cccc(C(F)(F)F)c3)sc2n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is TUJNZDKUONRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3OS/c18-17(19,20)12-3-1-2-11(6-12)14-9-23-8-13(22-16(23)25-14)15(24)21-7-10-4-5-10/h1-3,6,8-10H,4-5,7H2,(H,21,24).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 365.38 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134796721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).