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

C26H22F3N3O4S — CID 67549825

IUPAC6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OCC1CC1
InChIInChI=1S/C26H22F3N3O4S/c1-34-21-4-2-3-17(23(21)35-15-16-5-6-16)7-12-20-22(32-13-14-37-25(32)31-20)24(33)30-18-8-10-19(11-9-18)36-26(27,28)29/h2-4,7-14,16H,5-6,15H2,1H3,(H,30,33)
InChIKeySHZQUNAWQAVJJZ-UHFFFAOYSA-N
MW529.54 g/mol
LogP6.51
Rot. Bonds9

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

6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67549825) has the molecular formula C26H22F3N3O4S and a molecular weight of 529.54 g/mol. Its IUPAC name is 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67549825
Molecular FormulaC26H22F3N3O4S
Molecular Weight529.54 g/mol
Exact Mass529.13
IUPAC Name6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OCC1CC1
InChIInChI=1S/C26H22F3N3O4S/c1-34-21-4-2-3-17(23(21)35-15-16-5-6-16)7-12-20-22(32-13-14-37-25(32)31-20)24(33)30-18-8-10-19(11-9-18)36-26(27,28)29/h2-4,7-14,16H,5-6,15H2,1H3,(H,30,33)
InChIKeySHZQUNAWQAVJJZ-UHFFFAOYSA-N
XLogP6.51
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.54
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3239406
N-(4-ethoxyphenyl)-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 16029652
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2,3-dimethoxybenzamide
CID 7151232
N-(4-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796135
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 129907091
6-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[2,1-b]thiazole-5-carboxamide
CID 134151016
N-(4-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2,3-dimethoxybenzamide
CID 18562200
6-(3-methoxyphenyl)-N-(4-(trifluoromethoxy)phenyl)imidazo[2,1-b]thiazole-3-carboxamide
CID 42270099
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795886
N-[(4-fluorophenyl)methyl]-5-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796092
2-(4-fluorophenyl)-N-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796606
N-[(3-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796913

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67549825) is 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(C=Cc2nc3sccn3c2C(=O)Nc2ccc(OC(F)(F)F)cc2)c1OCC1CC1.
What is the InChIKey of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is SHZQUNAWQAVJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O4S/c1-34-21-4-2-3-17(23(21)35-15-16-5-6-16)7-12-20-22(32-13-14-37-25(32)31-20)24(33)30-18-8-10-19(11-9-18)36-26(27,28)29/h2-4,7-14,16H,5-6,15H2,1H3,(H,30,33).
What are the key properties of 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 529.54 g/mol, XLogP of 6.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-N-[4-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67549825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).