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

C26H27F3N4O3S2 — CID 46832953

IUPAC6-[(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
SMILESCCN(C(=O)c1c(/C=C/c2cccc(OC)c2OCC(C)(C)C)nc2sccn12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C26H27F3N4O3S2/c1-6-32(24-31-19(14-38-24)26(27,28)29)22(34)20-17(30-23-33(20)12-13-37-23)11-10-16-8-7-9-18(35-5)21(16)36-15-25(2,3)4/h7-14H,6,15H2,1-5H3/b11-10+
InChIKeyXPBVDSCRZWKHEC-ZHACJKMWSA-N
MW564.66 g/mol
LogP7.14
Rot. Bonds8

About 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

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 (PubChem CID 46832953) has the molecular formula C26H27F3N4O3S2 and a molecular weight of 564.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[(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
PubChem CID46832953
Molecular FormulaC26H27F3N4O3S2
Molecular Weight564.66 g/mol
Exact Mass564.15
IUPAC Name6-[(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
SMILESCCN(C(=O)c1c(/C=C/c2cccc(OC)c2OCC(C)(C)C)nc2sccn12)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C26H27F3N4O3S2/c1-6-32(24-31-19(14-38-24)26(27,28)29)22(34)20-17(30-23-33(20)12-13-37-23)11-10-16-8-7-9-18(35-5)21(16)36-15-25(2,3)4/h7-14H,6,15H2,1-5H3/b11-10+
InChIKeyXPBVDSCRZWKHEC-ZHACJKMWSA-N
XLogP7.14
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.66
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(C(=O)c1c(/C=C/c2cccc(OC)c2OCC(C)(C)C)nc2sccn12)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 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?
The InChIKey is XPBVDSCRZWKHEC-ZHACJKMWSA-N. The full InChI is InChI=1S/C26H27F3N4O3S2/c1-6-32(24-31-19(14-38-24)26(27,28)29)22(34)20-17(30-23-33(20)12-13-37-23)11-10-16-8-7-9-18(35-5)21(16)36-15-25(2,3)4/h7-14H,6,15H2,1-5H3/b11-10+.
What are the key properties of 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?
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 has a molecular weight of 564.66 g/mol, XLogP of 7.14, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46832953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).