6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

C10H7N3S2 — CID 119087949

IUPAC6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nccs3)cc2s1
InChIInChI=1S/C10H7N3S2/c11-10-13-7-2-1-6(5-8(7)15-10)9-12-3-4-14-9/h1-5H,(H2,11,13)
InChIKeyUWSYNIRTDZDAQA-UHFFFAOYSA-N
MW233.32 g/mol
LogP3.00
Rot. Bonds1

About 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine

6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 119087949) has the molecular formula C10H7N3S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID119087949
Molecular FormulaC10H7N3S2
Molecular Weight233.32 g/mol
Exact Mass233.01
IUPAC Name6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3nccs3)cc2s1
InChIInChI=1S/C10H7N3S2/c11-10-13-7-2-1-6(5-8(7)15-10)9-12-3-4-14-9/h1-5H,(H2,11,13)
InChIKeyUWSYNIRTDZDAQA-UHFFFAOYSA-N
XLogP3.00
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-(1,3-thiazol-2-yl)quinoxalin-2-amine
CID 119094972
2-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole
CID 901538
6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
2,4-diamino-6-(2-amino-1,3-benzothiazol-6-yl)pyrimidine-5-carbonitrile
CID 169398242
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111
5-(4-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 82106922
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348347
6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
CID 114354076

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 119087949) is 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3nccs3)cc2s1.
What is the InChIKey of 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is UWSYNIRTDZDAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S2/c11-10-13-7-2-1-6(5-8(7)15-10)9-12-3-4-14-9/h1-5H,(H2,11,13).
What are the key properties of 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 233.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 119087949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).