6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

C18H11ClN4OS — CID 7087630

IUPAC6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C18H11ClN4OS/c19-15-8-5-12(10-21-15)16(24)22-13-6-3-11(4-7-13)17-23-14-2-1-9-20-18(14)25-17/h1-10H,(H,22,24)
InChIKeyVXBYDSNIFIKHSG-UHFFFAOYSA-N
MW366.83 g/mol
LogP4.66
Rot. Bonds3

About 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide

6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 7087630) has the molecular formula C18H11ClN4OS and a molecular weight of 366.83 g/mol. Its IUPAC name is 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
PubChem CID7087630
Molecular FormulaC18H11ClN4OS
Molecular Weight366.83 g/mol
Exact Mass366.03
IUPAC Name6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)nc1
InChIInChI=1S/C18H11ClN4OS/c19-15-8-5-12(10-21-15)16(24)22-13-6-3-11(4-7-13)17-23-14-2-1-9-20-18(14)25-17/h1-10H,(H,22,24)
InChIKeyVXBYDSNIFIKHSG-UHFFFAOYSA-N
XLogP4.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide (CID 7087630) is 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is VXBYDSNIFIKHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4OS/c19-15-8-5-12(10-21-15)16(24)22-13-6-3-11(4-7-13)17-23-14-2-1-9-20-18(14)25-17/h1-10H,(H,22,24).
What are the key properties of 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 366.83 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 7087630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).