7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C12H13N3S — CID 162743847

IUPAC7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)C(c1ccccn1)CCC2
InChIInChI=1S/C12H13N3S/c13-12-15-10-6-3-4-8(11(10)16-12)9-5-1-2-7-14-9/h1-2,5,7-8H,3-4,6H2,(H2,13,15)
InChIKeyBILIXDHKUWSUIC-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.59
Rot. Bonds1

About 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 162743847) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID162743847
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)C(c1ccccn1)CCC2
InChIInChI=1S/C12H13N3S/c13-12-15-10-6-3-4-8(11(10)16-12)9-5-1-2-7-14-9/h1-2,5,7-8H,3-4,6H2,(H2,13,15)
InChIKeyBILIXDHKUWSUIC-UHFFFAOYSA-N
XLogP2.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 162743847) is 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)C(c1ccccn1)CCC2.
What is the InChIKey of 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is BILIXDHKUWSUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c13-12-15-10-6-3-4-8(11(10)16-12)9-5-1-2-7-14-9/h1-2,5,7-8H,3-4,6H2,(H2,13,15).
What are the key properties of 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 231.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 162743847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).