6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H19F3N4O3S2 — CID 75215309

IUPAC6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OCC1CC1
InChIInChI=1S/C23H19F3N4O3S2/c1-32-16-4-2-3-14(19(16)33-11-13-5-6-13)7-8-15-18(30-9-10-34-22(30)27-15)20(31)29-21-28-17(12-35-21)23(24,25)26/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,28,29,31)
InChIKeyFELPHWAWJAUCAY-UHFFFAOYSA-N
MW520.56 g/mol
LogP6.09
Rot. Bonds8

About 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 75215309) has the molecular formula C23H19F3N4O3S2 and a molecular weight of 520.56 g/mol. Its IUPAC name is 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID75215309
Molecular FormulaC23H19F3N4O3S2
Molecular Weight520.56 g/mol
Exact Mass520.09
IUPAC Name6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OCC1CC1
InChIInChI=1S/C23H19F3N4O3S2/c1-32-16-4-2-3-14(19(16)33-11-13-5-6-13)7-8-15-18(30-9-10-34-22(30)27-15)20(31)29-21-28-17(12-35-21)23(24,25)26/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,28,29,31)
InChIKeyFELPHWAWJAUCAY-UHFFFAOYSA-N
XLogP6.09
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.56
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67549825
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-[(E)-2-(3-methoxy-2-prop-1-en-2-yloxyphenyl)ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 59369918
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-hydroxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753387
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753446
6-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-N-ethyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 46832953
ethyl 6-[2-[2-(cyclobutylmethoxy)-3-(difluoromethoxy)phenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carboxylate
CID 67549159
sodium (4-tert-butyl-1,3-thiazol-2-yl)-[6-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]imidazo[2,1-b][1,3]thiazole-5-carbonyl]azanide
CID 46832951
6-[(E)-2-[3-(difluoromethoxy)-2-(2,2-dimethylpropoxy)phenyl]ethenyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 46833852
7-[2-[3-methoxy-2-(2-methylpropoxy)phenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66752771
7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-6-iodo-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753394
4-[7-[2-(3-methoxy-2-pentoxyphenyl)ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]benzonitrile
CID 66753437
4-[4-[7-[(E)-2-[2-(cyclopropylmethoxy)-3-(hydroxymethyl)phenyl]ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]phenoxy]butanenitrile
CID 69029210

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 75215309) is 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OCC1CC1.
What is the InChIKey of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FELPHWAWJAUCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S2/c1-32-16-4-2-3-14(19(16)33-11-13-5-6-13)7-8-15-18(30-9-10-34-22(30)27-15)20(31)29-21-28-17(12-35-21)23(24,25)26/h2-4,7-10,12-13H,5-6,11H2,1H3,(H,28,29,31).
What are the key properties of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 520.56 g/mol, XLogP of 6.09, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 75215309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).