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

C24H21F3N4O3S2 — CID 46833250

IUPAC6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OC1CCCC1
InChIInChI=1S/C24H21F3N4O3S2/c1-33-17-8-4-5-14(20(17)34-15-6-2-3-7-15)9-10-16-19(31-11-12-35-23(31)28-16)21(32)30-22-29-18(13-36-22)24(25,26)27/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,29,30,32)/b10-9+
InChIKeyOOFSAZADFPZLIW-MDZDMXLPSA-N
MW534.59 g/mol
LogP6.62
Rot. Bonds7

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

6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 46833250) has the molecular formula C24H21F3N4O3S2 and a molecular weight of 534.59 g/mol. Its IUPAC name is 6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)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-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID46833250
Molecular FormulaC24H21F3N4O3S2
Molecular Weight534.59 g/mol
Exact Mass534.10
IUPAC Name6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCOc1cccc(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OC1CCCC1
InChIInChI=1S/C24H21F3N4O3S2/c1-33-17-8-4-5-14(20(17)34-15-6-2-3-7-15)9-10-16-19(31-11-12-35-23(31)28-16)21(32)30-22-29-18(13-36-22)24(25,26)27/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,29,30,32)/b10-9+
InChIKeyOOFSAZADFPZLIW-MDZDMXLPSA-N
XLogP6.62
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.59
LogP ≤ 56.62
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-methoxyphenyl)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-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 46833250) is 6-[(E)-2-(2-cyclopentyloxy-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-[(E)-2-(2-cyclopentyloxy-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-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is COc1cccc(/C=C/c2nc3sccn3c2C(=O)Nc2nc(C(F)(F)F)cs2)c1OC1CCCC1.
What is the InChIKey of 6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is OOFSAZADFPZLIW-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H21F3N4O3S2/c1-33-17-8-4-5-14(20(17)34-15-6-2-3-7-15)9-10-16-19(31-11-12-35-23(31)28-16)21(32)30-22-29-18(13-36-22)24(25,26)27/h4-5,8-13,15H,2-3,6-7H2,1H3,(H,29,30,32)/b10-9+.
What are the key properties of 6-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-[(E)-2-(2-cyclopentyloxy-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 534.59 g/mol, XLogP of 6.62, 7 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-methoxyphenyl)ethenyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 46833250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).