6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C24H19F5N4O3S2 — CID 46833251

IUPAC6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1c(/C=C/c2cccc(OC(F)F)c2OC2CCCC2)nc2sccn12
InChIInChI=1S/C24H19F5N4O3S2/c25-21(26)36-16-7-3-4-13(19(16)35-14-5-1-2-6-14)8-9-15-18(33-10-11-37-23(33)30-15)20(34)32-22-31-17(12-38-22)24(27,28)29/h3-4,7-12,14,21H,1-2,5-6H2,(H,31,32,34)/b9-8+
InChIKeyKONLPBXOQIVYIA-CMDGGOBGSA-N
MW570.57 g/mol
LogP7.22
Rot. Bonds8

About 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 46833251) has the molecular formula C24H19F5N4O3S2 and a molecular weight of 570.57 g/mol. Its IUPAC name is 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID46833251
Molecular FormulaC24H19F5N4O3S2
Molecular Weight570.57 g/mol
Exact Mass570.08
IUPAC Name6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)cs1)c1c(/C=C/c2cccc(OC(F)F)c2OC2CCCC2)nc2sccn12
InChIInChI=1S/C24H19F5N4O3S2/c25-21(26)36-16-7-3-4-13(19(16)35-14-5-1-2-6-14)8-9-15-18(33-10-11-37-23(33)30-15)20(34)32-22-31-17(12-38-22)24(27,28)29/h3-4,7-12,14,21H,1-2,5-6H2,(H,31,32,34)/b9-8+
InChIKeyKONLPBXOQIVYIA-CMDGGOBGSA-N
XLogP7.22
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-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-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 46833251) is 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]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-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-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-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(Nc1nc(C(F)(F)F)cs1)c1c(/C=C/c2cccc(OC(F)F)c2OC2CCCC2)nc2sccn12.
What is the InChIKey of 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KONLPBXOQIVYIA-CMDGGOBGSA-N. The full InChI is InChI=1S/C24H19F5N4O3S2/c25-21(26)36-16-7-3-4-13(19(16)35-14-5-1-2-6-14)8-9-15-18(33-10-11-37-23(33)30-15)20(34)32-22-31-17(12-38-22)24(27,28)29/h3-4,7-12,14,21H,1-2,5-6H2,(H,31,32,34)/b9-8+.
What are the key properties of 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 570.57 g/mol, XLogP of 7.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-[2-cyclopentyloxy-3-(difluoromethoxy)phenyl]ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 46833251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).