N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C16H21N3S — CID 64975922

IUPACN-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(Cc3ccccn3)nc21
InChIInChI=1S/C16H21N3S/c1-2-9-18-13-7-5-8-14-16(13)19-15(20-14)11-12-6-3-4-10-17-12/h3-4,6,10,13,18H,2,5,7-9,11H2,1H3
InChIKeyMZPLEAAVGBHTTI-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.51
Rot. Bonds5

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

N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64975922) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64975922
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(Cc3ccccn3)nc21
InChIInChI=1S/C16H21N3S/c1-2-9-18-13-7-5-8-14-16(13)19-15(20-14)11-12-6-3-4-10-17-12/h3-4,6,10,13,18H,2,5,7-9,11H2,1H3
InChIKeyMZPLEAAVGBHTTI-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
N-ethyl-2-(2-phenylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976180
N-propyl-2-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79965102
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115528200
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-(pyridin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395633
N-propyl-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62078950
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
N-ethyl-2-[(4-methylphenyl)sulfanylmethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 66065617

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64975922) is N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(Cc3ccccn3)nc21.
What is the InChIKey of N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is MZPLEAAVGBHTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-2-9-18-13-7-5-8-14-16(13)19-15(20-14)11-12-6-3-4-10-17-12/h3-4,6,10,13,18H,2,5,7-9,11H2,1H3.
What are the key properties of N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 287.43 g/mol, XLogP of 3.51, 5 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-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64975922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).