N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C19H11ClN4O3S — CID 23144290

IUPACN-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(Cl)nc2)s1)c1ccncc1
InChIInChI=1S/C19H11ClN4O3S/c20-14-4-3-12(10-22-14)16(25)17-15(13-2-1-9-27-13)23-19(28-17)24-18(26)11-5-7-21-8-6-11/h1-10H,(H,23,24,26)
InChIKeyADCNOBLHASRPHK-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.33
Rot. Bonds5

About N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144290) has the molecular formula C19H11ClN4O3S and a molecular weight of 410.84 g/mol. Its IUPAC name is N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144290
Molecular FormulaC19H11ClN4O3S
Molecular Weight410.84 g/mol
Exact Mass410.02
IUPAC NameN-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(Cl)nc2)s1)c1ccncc1
InChIInChI=1S/C19H11ClN4O3S/c20-14-4-3-12(10-22-14)16(25)17-15(13-2-1-9-27-13)23-19(28-17)24-18(26)11-5-7-21-8-6-11/h1-10H,(H,23,24,26)
InChIKeyADCNOBLHASRPHK-UHFFFAOYSA-N
XLogP4.33
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144290) is N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccc(Cl)nc2)s1)c1ccncc1.
What is the InChIKey of N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ADCNOBLHASRPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O3S/c20-14-4-3-12(10-22-14)16(25)17-15(13-2-1-9-27-13)23-19(28-17)24-18(26)11-5-7-21-8-6-11/h1-10H,(H,23,24,26).
What are the key properties of N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 410.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloropyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).