1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine

C14H12N4S2 — CID 91400826

IUPAC1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine
SMILESc1ccc2c(c1)NC(NNc1nc3ccccc3s1)S2
InChIInChI=1S/C14H12N4S2/c1-3-7-11-9(5-1)15-13(19-11)17-18-14-16-10-6-2-4-8-12(10)20-14/h1-8,13,15,17H,(H,16,18)
InChIKeyANVPTOZSKWLCAX-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.71
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine

1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine (PubChem CID 91400826) has the molecular formula C14H12N4S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine
PubChem CID91400826
Molecular FormulaC14H12N4S2
Molecular Weight300.41 g/mol
Exact Mass300.05
IUPAC Name1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine
SMILESc1ccc2c(c1)NC(NNc1nc3ccccc3s1)S2
InChIInChI=1S/C14H12N4S2/c1-3-7-11-9(5-1)15-13(19-11)17-18-14-16-10-6-2-4-8-12(10)20-14/h1-8,13,15,17H,(H,16,18)
InChIKeyANVPTOZSKWLCAX-UHFFFAOYSA-N
XLogP3.71
TPSA48.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2,3-dihydro-1,3-benzothiazol-2-yl]-1,3-benzothiazole
CID 129361833
N-[4-(1,3-benzothiazol-2-yl)phenyl]-4-(2,3-dihydro-1,3-benzothiazol-2-yl)aniline
CID 166960409
N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 12741817
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
(1,3-benzothiazol-2-ylamino)thiourea
CID 14712207
(1,3-benzothiazol-2-ylamino)carbamodithioic acid
CID 134108840
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-[(1S)-1-phenylethyl]-1,3-benzothiazol-2-amine
CID 28533165
3-(1,3-benzothiazol-2-yl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 43053214
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine (CID 91400826) is 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine is c1ccc2c(c1)NC(NNc1nc3ccccc3s1)S2.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine?
The InChIKey is ANVPTOZSKWLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S2/c1-3-7-11-9(5-1)15-13(19-11)17-18-14-16-10-6-2-4-8-12(10)20-14/h1-8,13,15,17H,(H,16,18).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine?
1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine has a molecular weight of 300.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-2-(2,3-dihydro-1,3-benzothiazol-2-yl)hydrazine is sourced from PubChem (CID 91400826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).