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

C18H15F3N4OS — CID 118264369

IUPAC2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc4c(ccn4C)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C18H15F3N4OS/c1-10-9-25-14(15(18(19,20)21)23-17(25)27-10)16(26)22-8-11-3-4-13-12(7-11)5-6-24(13)2/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyFURKIUVGVGLFCC-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.14
Rot. Bonds3

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

2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 118264369) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID118264369
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cn2c(C(=O)NCc3ccc4c(ccn4C)c3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C18H15F3N4OS/c1-10-9-25-14(15(18(19,20)21)23-17(25)27-10)16(26)22-8-11-3-4-13-12(7-11)5-6-24(13)2/h3-7,9H,8H2,1-2H3,(H,22,26)
InChIKeyFURKIUVGVGLFCC-UHFFFAOYSA-N
XLogP4.14
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118267882
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264342
6-ethyl-2-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264341
2,6-dimethyl-N-[[3-(pentafluoro-λ6-sulfanyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 126710479
N-[[3-(4-fluorophenoxy)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264350
2-ethyl-6-methyl-N-[(1-methylindol-6-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53469011
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
N-[(3-chlorophenyl)methyl]-6-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71598223
N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 70693464
6-ethyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264355
N-[[4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264362
1-methyl-N-(naphthalen-2-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 118264369) is 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cn2c(C(=O)NCc3ccc4c(ccn4C)c3)c(C(F)(F)F)nc2s1.
What is the InChIKey of 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FURKIUVGVGLFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-10-9-25-14(15(18(19,20)21)23-17(25)27-10)16(26)22-8-11-3-4-13-12(7-11)5-6-24(13)2/h3-7,9H,8H2,1-2H3,(H,22,26).
What are the key properties of 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 392.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylindol-5-yl)methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118264369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).