6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

C15H10Cl2N4OS — CID 24905713

IUPAC6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccc(Cl)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C15H10Cl2N4OS/c16-12-3-1-10(7-18-12)9-21-5-6-23-15(21)20-14(22)11-2-4-13(17)19-8-11/h1-8H,9H2/b20-15+
InChIKeyLBZCWBWGZRRKSR-HMMYKYKNSA-N
MW365.25 g/mol
LogP3.44
Rot. Bonds3

About 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide

6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (PubChem CID 24905713) has the molecular formula C15H10Cl2N4OS and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
PubChem CID24905713
Molecular FormulaC15H10Cl2N4OS
Molecular Weight365.25 g/mol
Exact Mass364.00
IUPAC Name6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
SMILESO=C(/N=c1/sccn1Cc1ccc(Cl)nc1)c1ccc(Cl)nc1
InChIInChI=1S/C15H10Cl2N4OS/c16-12-3-1-10(7-18-12)9-21-5-6-23-15(21)20-14(22)11-2-4-13(17)19-8-11/h1-8H,9H2/b20-15+
InChIKeyLBZCWBWGZRRKSR-HMMYKYKNSA-N
XLogP3.44
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
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-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide (CID 24905713) is 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is O=C(/N=c1/sccn1Cc1ccc(Cl)nc1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
The InChIKey is LBZCWBWGZRRKSR-HMMYKYKNSA-N. The full InChI is InChI=1S/C15H10Cl2N4OS/c16-12-3-1-10(7-18-12)9-21-5-6-23-15(21)20-14(22)11-2-4-13(17)19-8-11/h1-8H,9H2/b20-15+.
What are the key properties of 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide?
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide is sourced from PubChem (CID 24905713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).