bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide

C17H15N7OS — CID 154945782

IUPACbis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide
SMILESC#N.C#N.Cc1cncc(C(=O)Nc2nc3ccc(C=NN)cc3s2)c1
InChIInChI=1S/C15H13N5OS.2CHN/c1-9-4-11(8-17-6-9)14(21)20-15-19-12-3-2-10(7-18-16)5-13(12)22-15;2*1-2/h2-8H,16H2,1H3,(H,19,20,21);2*1H
InChIKeyWOCIHUOGZIXHHU-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.82
Rot. Bonds3

About bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide

bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide (PubChem CID 154945782) has the molecular formula C17H15N7OS and a molecular weight of 365.42 g/mol. Its IUPAC name is bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound Namebis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide
PubChem CID154945782
Molecular FormulaC17H15N7OS
Molecular Weight365.42 g/mol
Exact Mass365.11
IUPAC Namebis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide
SMILESC#N.C#N.Cc1cncc(C(=O)Nc2nc3ccc(C=NN)cc3s2)c1
InChIInChI=1S/C15H13N5OS.2CHN/c1-9-4-11(8-17-6-9)14(21)20-15-19-12-3-2-10(7-18-16)5-13(12)22-15;2*1-2/h2-8H,16H2,1H3,(H,19,20,21);2*1H
InChIKeyWOCIHUOGZIXHHU-UHFFFAOYSA-N
XLogP2.82
TPSA140.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151807
4-methyl-N-[2-[(4-methylbenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 23741959
2-N,5-N-bis(6-methyl-1,3-benzothiazol-2-yl)pyridine-2,5-dicarboxamide
CID 4652334
4-(carbamoylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 78768294
3,5-diacetamido-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 35983210
5-bromo-N-[6-(propylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-3-carboxamide
CID 2147980
3-(18F)fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)(18F)benzamide
CID 46224235
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
3-amino-4-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 61091774
3-bromo-5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 107951417
3-bromo-5-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 167861031
[4-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]-(3-methylphenyl)iodanium bromide
CID 87394550

Frequently Asked Questions

What is the IUPAC name of bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide?
The IUPAC name of bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide (CID 154945782) is bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide is C#N.C#N.Cc1cncc(C(=O)Nc2nc3ccc(C=NN)cc3s2)c1.
What is the InChIKey of bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide?
The InChIKey is WOCIHUOGZIXHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS.2CHN/c1-9-4-11(8-17-6-9)14(21)20-15-19-12-3-2-10(7-18-16)5-13(12)22-15;2*1-2/h2-8H,16H2,1H3,(H,19,20,21);2*1H.
What are the key properties of bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide?
bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(formonitrile);N-(6-methanehydrazonoyl-1,3-benzothiazol-2-yl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 154945782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).