N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide

C21H16N4O3S — CID 23144218

IUPACN-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccnc(C)c3)s2)ccn1
InChIInChI=1S/C21H16N4O3S/c1-12-10-14(5-7-22-12)18(26)19-17(16-4-3-9-28-16)24-21(29-19)25-20(27)15-6-8-23-13(2)11-15/h3-11H,1-2H3,(H,24,25,27)
InChIKeyXHPNOHYYOLELPF-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 23144218) has the molecular formula C21H16N4O3S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID23144218
Molecular FormulaC21H16N4O3S
Molecular Weight404.45 g/mol
Exact Mass404.09
IUPAC NameN-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccnc(C)c3)s2)ccn1
InChIInChI=1S/C21H16N4O3S/c1-12-10-14(5-7-22-12)18(26)19-17(16-4-3-9-28-16)24-21(29-19)25-20(27)15-6-8-23-13(2)11-15/h3-11H,1-2H3,(H,24,25,27)
InChIKeyXHPNOHYYOLELPF-UHFFFAOYSA-N
XLogP4.29
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide (CID 23144218) is N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccco3)c(C(=O)c3ccnc(C)c3)s2)ccn1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is XHPNOHYYOLELPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3S/c1-12-10-14(5-7-22-12)18(26)19-17(16-4-3-9-28-16)24-21(29-19)25-20(27)15-6-8-23-13(2)11-15/h3-11H,1-2H3,(H,24,25,27).
What are the key properties of N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(2-methylpyridine-4-carbonyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 23144218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).