5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide

C16H12F3N3O2S — CID 118649917

IUPAC5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccnc2)o1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)13-9-25-14(22-13)5-7-21-15(23)12-4-3-11(24-12)10-2-1-6-20-8-10/h1-4,6,8-9H,5,7H2,(H,21,23)
InChIKeyPLRBHSRSTWAVMG-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.79
Rot. Bonds5

About 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide

5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide (PubChem CID 118649917) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide
PubChem CID118649917
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccnc2)o1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)13-9-25-14(22-13)5-7-21-15(23)12-4-3-11(24-12)10-2-1-6-20-8-10/h1-4,6,8-9H,5,7H2,(H,21,23)
InChIKeyPLRBHSRSTWAVMG-UHFFFAOYSA-N
XLogP3.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide (CID 118649917) is 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)c1ccc(-c2cccnc2)o1.
What is the InChIKey of 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide?
The InChIKey is PLRBHSRSTWAVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)13-9-25-14(22-13)5-7-21-15(23)12-4-3-11(24-12)10-2-1-6-20-8-10/h1-4,6,8-9H,5,7H2,(H,21,23).
What are the key properties of 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide?
5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide has a molecular weight of 367.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 118649917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).