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

C17H22N2S — CID 64976016

IUPAC2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H22N2S/c1-3-11-18-14-5-4-6-15-16(14)19-17(20-15)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11H2,1-2H3
InChIKeyINDJYFIZNYKIBV-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.50
Rot. Bonds4

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

2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64976016) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64976016
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C17H22N2S/c1-3-11-18-14-5-4-6-15-16(14)19-17(20-15)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11H2,1-2H3
InChIKeyINDJYFIZNYKIBV-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107931877
2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 114938177
2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115528200
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 64976443
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975528
N-ethyl-2-(5-ethylthiophen-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976596
N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975922
N-[[4-cyclopropyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82436237

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64976016) is 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(-c3ccc(C)cc3)nc21.
What is the InChIKey of 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is INDJYFIZNYKIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-3-11-18-14-5-4-6-15-16(14)19-17(20-15)13-9-7-12(2)8-10-13/h7-10,14,18H,3-6,11H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 286.44 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64976016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).