4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine

C10H7N3S2 — CID 4962348

IUPAC4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C10H7N3S2/c11-10-13-7(5-14-10)9-12-6-3-1-2-4-8(6)15-9/h1-5H,(H2,11,13)
InChIKeyVGQICENTKIUASP-UHFFFAOYSA-N
MW233.32 g/mol
LogP3.00
Rot. Bonds1

About 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine

4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 4962348) has the molecular formula C10H7N3S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID4962348
Molecular FormulaC10H7N3S2
Molecular Weight233.32 g/mol
Exact Mass233.01
IUPAC Name4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3s2)cs1
InChIInChI=1S/C10H7N3S2/c11-10-13-7(5-14-10)9-12-6-3-1-2-4-8(6)15-9/h1-5H,(H2,11,13)
InChIKeyVGQICENTKIUASP-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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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine (CID 4962348) is 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nc3ccccc3s2)cs1.
What is the InChIKey of 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VGQICENTKIUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3S2/c11-10-13-7(5-14-10)9-12-6-3-1-2-4-8(6)15-9/h1-5H,(H2,11,13).
What are the key properties of 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine?
4-(1,3-benzothiazol-2-yl)-1,3-thiazol-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 4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4962348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).