2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide

C12H13N7OS — CID 168602042

IUPAC2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESNC(N)=N/C(N)=N/c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H13N7OS/c13-10(14)19-11(15)17-8-4-2-1-3-7(8)9(20)18-12-16-5-6-21-12/h1-6H,(H,16,18,20)(H6,13,14,15,17,19)
InChIKeyOIUXTGSCNVOWPK-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.62
Rot. Bonds3

About 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide

2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 168602042) has the molecular formula C12H13N7OS and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID168602042
Molecular FormulaC12H13N7OS
Molecular Weight303.35 g/mol
Exact Mass303.09
IUPAC Name2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESNC(N)=N/C(N)=N/c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H13N7OS/c13-10(14)19-11(15)17-8-4-2-1-3-7(8)9(20)18-12-16-5-6-21-12/h1-6H,(H,16,18,20)(H6,13,14,15,17,19)
InChIKeyOIUXTGSCNVOWPK-UHFFFAOYSA-N
XLogP0.62
TPSA144.77 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
N-(1,3-thiazol-2-yl)phenazine-1-carboxamide
CID 3713587
6-hydrazinyl-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 62237920
[2-(1,3-thiazol-2-ylcarbamoyl)phenyl] nitrate
CID 90933824
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
3-amino-2-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 143922390
[2-(2-carbamoylphenyl)-3-(1,3-thiazol-2-ylcarbamoyl)phenyl]boronic acid
CID 87176257
2-(tetrazol-1-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 2442002
2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22320712

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 168602042) is 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide is NC(N)=N/C(N)=N/c1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is OIUXTGSCNVOWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7OS/c13-10(14)19-11(15)17-8-4-2-1-3-7(8)9(20)18-12-16-5-6-21-12/h1-6H,(H,16,18,20)(H6,13,14,15,17,19).
What are the key properties of 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide?
2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 303.35 g/mol, XLogP of 0.62, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(diaminomethylideneamino)methylidene]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 168602042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).