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

C13H15N3S — CID 62079694

IUPACN-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3ccccn3)sc21
InChIInChI=1S/C13H15N3S/c1-14-9-6-4-7-10-12(9)17-13(16-10)11-5-2-3-8-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3
InChIKeyFQPWQBNLCDOXDO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.80
Rot. Bonds2

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

N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62079694) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62079694
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(-c3ccccn3)sc21
InChIInChI=1S/C13H15N3S/c1-14-9-6-4-7-10-12(9)17-13(16-10)11-5-2-3-8-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3
InChIKeyFQPWQBNLCDOXDO-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62079694) is N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(-c3ccccn3)sc21.
What is the InChIKey of N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is FQPWQBNLCDOXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-14-9-6-4-7-10-12(9)17-13(16-10)11-5-2-3-8-15-11/h2-3,5,8-9,14H,4,6-7H2,1H3.
What are the key properties of N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 245.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62079694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).