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

C15H19N3S — CID 62078950

IUPACN-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3ccccn3)sc21
InChIInChI=1S/C15H19N3S/c1-2-9-16-11-7-5-8-12-14(11)19-15(18-12)13-6-3-4-10-17-13/h3-4,6,10-11,16H,2,5,7-9H2,1H3
InChIKeyNQCFKCYQZUMRAX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.58
Rot. Bonds4

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

N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62078950) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62078950
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCCNC1CCCc2nc(-c3ccccn3)sc21
InChIInChI=1S/C15H19N3S/c1-2-9-16-11-7-5-8-12-14(11)19-15(18-12)13-6-3-4-10-17-13/h3-4,6,10-11,16H,2,5,7-9H2,1H3
InChIKeyNQCFKCYQZUMRAX-UHFFFAOYSA-N
XLogP3.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62078950) is N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCCNC1CCCc2nc(-c3ccccn3)sc21.
What is the InChIKey of N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is NQCFKCYQZUMRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-9-16-11-7-5-8-12-14(11)19-15(18-12)13-6-3-4-10-17-13/h3-4,6,10-11,16H,2,5,7-9H2,1H3.
What are the key properties of N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 273.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62078950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).