4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine

C11H10N6S2 — CID 80924678

IUPAC4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Sc2nc3ccccc3s2)nc(N)n1
InChIInChI=1S/C11H10N6S2/c12-10-15-8(17-13)5-9(16-10)19-11-14-6-3-1-2-4-7(6)18-11/h1-5H,13H2,(H3,12,15,16,17)
InChIKeyFEUXPZIPCXYTSM-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.11
Rot. Bonds3

About 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine

4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80924678) has the molecular formula C11H10N6S2 and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine
PubChem CID80924678
Molecular FormulaC11H10N6S2
Molecular Weight290.38 g/mol
Exact Mass290.04
IUPAC Name4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Sc2nc3ccccc3s2)nc(N)n1
InChIInChI=1S/C11H10N6S2/c12-10-15-8(17-13)5-9(16-10)19-11-14-6-3-1-2-4-7(6)18-11/h1-5H,13H2,(H3,12,15,16,17)
InChIKeyFEUXPZIPCXYTSM-UHFFFAOYSA-N
XLogP2.11
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-(1,3-benzothiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886924
4-(1,3-benzothiazol-2-ylsulfanyl)-1,3-thiazol-2-amine
CID 90885082
6-(1,3-benzothiazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937180
4-(1,3-benzothiazol-2-ylsulfanyl)-3,5-dichloroaniline
CID 106891279
2-(6-methylpyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 78843311
2-(6-chloropyrimidin-4-yl)sulfanyl-1,3-benzothiazole
CID 60726972
2-[(5-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3-benzothiazole
CID 114870822
2-(1,3-benzothiazol-2-ylsulfanyl)-6-chloropyridine-4-carbonitrile
CID 83077510
3-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoroaniline
CID 60875381
[4-(1,3-benzothiazol-2-ylsulfanyl)-5-fluoropyrimidin-2-yl]hydrazine
CID 80925852
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-benzothiazole
CID 21234014
4-(1,3-benzothiazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80886922

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine (CID 80924678) is 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine is NNc1cc(Sc2nc3ccccc3s2)nc(N)n1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is FEUXPZIPCXYTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6S2/c12-10-15-8(17-13)5-9(16-10)19-11-14-6-3-1-2-4-7(6)18-11/h1-5H,13H2,(H3,12,15,16,17).
What are the key properties of 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine?
4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 290.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylsulfanyl)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80924678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).