N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

C18H12F3N3O2S — CID 75471157

IUPACN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2S/c19-18(20,21)12-2-1-6-22-15(12)16(25)24-17-23-13(9-27-17)10-3-4-14-11(8-10)5-7-26-14/h1-4,6,8-9H,5,7H2,(H,23,24,25)
InChIKeyYGPZVOKOEAPJSC-UHFFFAOYSA-N
MW391.37 g/mol
LogP4.41
Rot. Bonds3

About N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide

N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 75471157) has the molecular formula C18H12F3N3O2S and a molecular weight of 391.37 g/mol. Its IUPAC name is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID75471157
Molecular FormulaC18H12F3N3O2S
Molecular Weight391.37 g/mol
Exact Mass391.06
IUPAC NameN-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ncccc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2S/c19-18(20,21)12-2-1-6-22-15(12)16(25)24-17-23-13(9-27-17)10-3-4-14-11(8-10)5-7-26-14/h1-4,6,8-9H,5,7H2,(H,23,24,25)
InChIKeyYGPZVOKOEAPJSC-UHFFFAOYSA-N
XLogP4.41
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide (CID 75471157) is N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ncccc1C(F)(F)F.
What is the InChIKey of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YGPZVOKOEAPJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2S/c19-18(20,21)12-2-1-6-22-15(12)16(25)24-17-23-13(9-27-17)10-3-4-14-11(8-10)5-7-26-14/h1-4,6,8-9H,5,7H2,(H,23,24,25).
What are the key properties of N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 75471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).