6-pyrimidin-2-yl-1,3-benzothiazol-2-amine

C11H8N4S — CID 122184482

IUPAC6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ncccn3)cc2s1
InChIInChI=1S/C11H8N4S/c12-11-15-8-3-2-7(6-9(8)16-11)10-13-4-1-5-14-10/h1-6H,(H2,12,15)
InChIKeyDFKPIVAUDFTCGU-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.34
Rot. Bonds1

About 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine

6-pyrimidin-2-yl-1,3-benzothiazol-2-amine (PubChem CID 122184482) has the molecular formula C11H8N4S and a molecular weight of 228.28 g/mol. Its IUPAC name is 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
PubChem CID122184482
Molecular FormulaC11H8N4S
Molecular Weight228.28 g/mol
Exact Mass228.05
IUPAC Name6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(-c3ncccn3)cc2s1
InChIInChI=1S/C11H8N4S/c12-11-15-8-3-2-7(6-9(8)16-11)10-13-4-1-5-14-10/h1-6H,(H2,12,15)
InChIKeyDFKPIVAUDFTCGU-UHFFFAOYSA-N
XLogP2.34
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine (CID 122184482) is 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine is Nc1nc2ccc(-c3ncccn3)cc2s1.
What is the InChIKey of 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is DFKPIVAUDFTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4S/c12-11-15-8-3-2-7(6-9(8)16-11)10-13-4-1-5-14-10/h1-6H,(H2,12,15).
What are the key properties of 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine?
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 228.28 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 122184482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).