N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide

C15H12N4OS — CID 687494

IUPACN-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1nc2ccc(C=NNC(=O)c3ccncc3)cc2s1
InChIInChI=1S/C15H12N4OS/c1-10-18-13-3-2-11(8-14(13)21-10)9-17-19-15(20)12-4-6-16-7-5-12/h2-9H,1H3,(H,19,20)
InChIKeyBCBDSFDDPRXBCC-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.76
Rot. Bonds3

About N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide

N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 687494) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID687494
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC NameN-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1nc2ccc(C=NNC(=O)c3ccncc3)cc2s1
InChIInChI=1S/C15H12N4OS/c1-10-18-13-3-2-11(8-14(13)21-10)9-17-19-15(20)12-4-6-16-7-5-12/h2-9H,1H3,(H,19,20)
InChIKeyBCBDSFDDPRXBCC-UHFFFAOYSA-N
XLogP2.76
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(E)-(3-bromo-4-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 25251435
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(Z)-(3-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-4-carboxamide
CID 126068365
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;methanol
CID 139073608
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 870831
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 21230438
N-[(3-iodophenyl)methylideneamino]pyridine-4-carboxamide
CID 1379950

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide (CID 687494) is N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide is Cc1nc2ccc(C=NNC(=O)c3ccncc3)cc2s1.
What is the InChIKey of N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is BCBDSFDDPRXBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-18-13-3-2-11(8-14(13)21-10)9-17-19-15(20)12-4-6-16-7-5-12/h2-9H,1H3,(H,19,20).
What are the key properties of N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide?
N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzothiazol-6-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 687494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).