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

C19H18F3N3O2S — CID 56751137

IUPACN-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C19H18F3N3O2S/c1-27-11-18(5-6-18)10-23-16(26)15-9-28-17-24-14(8-25(15)17)12-3-2-4-13(7-12)19(20,21)22/h2-4,7-9H,5-6,10-11H2,1H3,(H,23,26)
InChIKeyUOEGSGNEYQRSJZ-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.24
Rot. Bonds6

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

N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 56751137) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID56751137
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOCC1(CNC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC1
InChIInChI=1S/C19H18F3N3O2S/c1-27-11-18(5-6-18)10-23-16(26)15-9-28-17-24-14(8-25(15)17)12-3-2-4-13(7-12)19(20,21)22/h2-4,7-9H,5-6,10-11H2,1H3,(H,23,26)
InChIKeyUOEGSGNEYQRSJZ-UHFFFAOYSA-N
XLogP4.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

thiomorpholin-4-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42197452
6-(3-methoxyphenyl)-N-(3-methoxypropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270765
6-(4-chlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42520390
N-[2-(diethylamino)ethyl]-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42516856
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 45183616
N-(3-fluorophenyl)-6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270856
N-[(4-methoxyphenyl)methyl]-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271395
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120888355
6-(3-methoxyphenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42270822
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413
6-(4-chlorophenyl)-N-(2-methoxy-2-methylpropyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 26401845

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 56751137) is N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is COCC1(CNC(=O)c2csc3nc(-c4cccc(C(F)(F)F)c4)cn23)CC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is UOEGSGNEYQRSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-27-11-18(5-6-18)10-23-16(26)15-9-28-17-24-14(8-25(15)17)12-3-2-4-13(7-12)19(20,21)22/h2-4,7-9H,5-6,10-11H2,1H3,(H,23,26).
What are the key properties of N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 409.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 56751137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).