N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide

C17H14N4OS2 — CID 7105678

IUPACN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
SMILESCc1cc(C)c2sc(NNC(=O)c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C17H14N4OS2/c1-9-7-10(2)14-12(8-9)19-17(24-14)21-20-15(22)16-18-11-5-3-4-6-13(11)23-16/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVODQWLPEYXCSBE-UHFFFAOYSA-N
MW354.46 g/mol
LogP4.28
Rot. Bonds3

About N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide (PubChem CID 7105678) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
PubChem CID7105678
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC NameN'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide
SMILESCc1cc(C)c2sc(NNC(=O)c3nc4ccccc4s3)nc2c1
InChIInChI=1S/C17H14N4OS2/c1-9-7-10(2)14-12(8-9)19-17(24-14)21-20-15(22)16-18-11-5-3-4-6-13(11)23-16/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVODQWLPEYXCSBE-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953231
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethoxybenzohydrazide
CID 7105680
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzohydrazide
CID 7600129
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7193003
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
4-[[(5,7-dimethyl-1,3-benzothiazol-2-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 18553500
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
(3S)-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 7105681
1-benzyl-3-(5,7-dimethyl-1,3-benzothiazol-2-yl)urea
CID 121080904
2-(4-chlorophenyl)sulfonyl-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600120
3-(4-chlorophenyl)sulfanyl-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)propanehydrazide
CID 7600122

Frequently Asked Questions

What is the IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The IUPAC name of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide (CID 7105678) is N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide.
What is the SMILES notation for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The canonical SMILES for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide is Cc1cc(C)c2sc(NNC(=O)c3nc4ccccc4s3)nc2c1.
What is the InChIKey of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
The InChIKey is VODQWLPEYXCSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c1-9-7-10(2)14-12(8-9)19-17(24-14)21-20-15(22)16-18-11-5-3-4-6-13(11)23-16/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide?
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide has a molecular weight of 354.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carbohydrazide is sourced from PubChem (CID 7105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).