2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C26H25F3N4O2S — CID 10391762

IUPAC2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(CCN(C)Cc2ccco2)nc1C(F)(F)F)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C26H25F3N4O2S/c1-17(18-6-3-7-19(14-18)20-8-4-11-30-15-20)31-25(34)23-24(26(27,28)29)32-22(36-23)10-12-33(2)16-21-9-5-13-35-21/h3-9,11,13-15,17H,10,12,16H2,1-2H3,(H,31,34)
InChIKeyPRUFKOKWCQTLMV-UHFFFAOYSA-N
MW514.57 g/mol
LogP5.98
Rot. Bonds9

About 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 10391762) has the molecular formula C26H25F3N4O2S and a molecular weight of 514.57 g/mol. Its IUPAC name is 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID10391762
Molecular FormulaC26H25F3N4O2S
Molecular Weight514.57 g/mol
Exact Mass514.17
IUPAC Name2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(CCN(C)Cc2ccco2)nc1C(F)(F)F)c1cccc(-c2cccnc2)c1
InChIInChI=1S/C26H25F3N4O2S/c1-17(18-6-3-7-19(14-18)20-8-4-11-30-15-20)31-25(34)23-24(26(27,28)29)32-22(36-23)10-12-33(2)16-21-9-5-13-35-21/h3-9,11,13-15,17H,10,12,16H2,1-2H3,(H,31,34)
InChIKeyPRUFKOKWCQTLMV-UHFFFAOYSA-N
XLogP5.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 10391762) is 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(CCN(C)Cc2ccco2)nc1C(F)(F)F)c1cccc(-c2cccnc2)c1.
What is the InChIKey of 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PRUFKOKWCQTLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2S/c1-17(18-6-3-7-19(14-18)20-8-4-11-30-15-20)31-25(34)23-24(26(27,28)29)32-22(36-23)10-12-33(2)16-21-9-5-13-35-21/h3-9,11,13-15,17H,10,12,16H2,1-2H3,(H,31,34).
What are the key properties of 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 514.57 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[furan-2-ylmethyl(methyl)amino]ethyl]-N-[1-(3-pyridin-3-ylphenyl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 10391762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).