4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen

C16H15N7OS — CID 176676300

IUPAC4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
SMILES[H]/N=C/N(/N=N/[H])c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.[H][H]
InChIInChI=1S/C16H13N7OS.H2/c17-10-23(22-18)12-6-4-11(5-7-12)15(24)21-16-20-14(9-25-16)13-3-1-2-8-19-13;/h1-10,17-18H,(H,20,21,24);1H/b17-10+,22-18+;
InChIKeyCSXATUFTMLJEJW-JGRBRKIXSA-N
MW353.41 g/mol
LogP4.06
Rot. Bonds6

About 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen

4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen (PubChem CID 176676300) has the molecular formula C16H15N7OS and a molecular weight of 353.41 g/mol. Its IUPAC name is 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
PubChem CID176676300
Molecular FormulaC16H15N7OS
Molecular Weight353.41 g/mol
Exact Mass353.11
IUPAC Name4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen
SMILES[H]/N=C/N(/N=N/[H])c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.[H][H]
InChIInChI=1S/C16H13N7OS.H2/c17-10-23(22-18)12-6-4-11(5-7-12)15(24)21-16-20-14(9-25-16)13-3-1-2-8-19-13;/h1-10,17-18H,(H,20,21,24);1H/b17-10+,22-18+;
InChIKeyCSXATUFTMLJEJW-JGRBRKIXSA-N
XLogP4.06
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-[(4-chlorophenyl)-methylsulfinamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139506168
4-[(4-chlorophenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912778
4-(1,3-dioxoisoindol-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 108766703
trimethyl-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]azanium
CID 155924019
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
4-[N-methyl-4-(trifluoromethyl)anilino]sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 139506141
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
3-(ethylideneamino)-4-(methylideneamino)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 129259431
5-bromo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2354167

Frequently Asked Questions

What is the IUPAC name of 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The IUPAC name of 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen (CID 176676300) is 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen.
What is the SMILES notation for 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The canonical SMILES for 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen is [H]/N=C/N(/N=N/[H])c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.[H][H].
What is the InChIKey of 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
The InChIKey is CSXATUFTMLJEJW-JGRBRKIXSA-N. The full InChI is InChI=1S/C16H13N7OS.H2/c17-10-23(22-18)12-6-4-11(5-7-12)15(24)21-16-20-14(9-25-16)13-3-1-2-8-19-13;/h1-10,17-18H,(H,20,21,24);1H/b17-10+,22-18+;.
What are the key properties of 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen?
4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen has a molecular weight of 353.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diazenyl(methanimidoyl)amino]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide;molecular hydrogen is sourced from PubChem (CID 176676300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).