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

C16H21N3OS — CID 114938177

IUPAC2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccc(OC)nc3)nc21
InChIInChI=1S/C16H21N3OS/c1-3-9-17-12-5-4-6-13-15(12)19-16(21-13)11-7-8-14(20-2)18-10-11/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyFZTNKOZURONJLL-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.59
Rot. Bonds5

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

2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 114938177) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID114938177
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCCNC1CCCc2sc(-c3ccc(OC)nc3)nc21
InChIInChI=1S/C16H21N3OS/c1-3-9-17-12-5-4-6-13-15(12)19-16(21-13)11-7-8-14(20-2)18-10-11/h7-8,10,12,17H,3-6,9H2,1-2H3
InChIKeyFZTNKOZURONJLL-UHFFFAOYSA-N
XLogP3.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976016
2-(3,4-dichlorophenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976478
N-propyl-2-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976044
2-(2-methylpyrimidin-4-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 115528200
2-(6-methoxy-3-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 114937608
2-(2-fluoro-5-methylphenyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 107931877
2-(6-methyl-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 104823158
2-cyclobutyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64984578
2-cyclooctyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 80609684
2-(2-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 113391642
2-(1-methoxycyclohexyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 116774684
N-propyl-2-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64975922

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 114938177) is 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCCNC1CCCc2sc(-c3ccc(OC)nc3)nc21.
What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is FZTNKOZURONJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-9-17-12-5-4-6-13-15(12)19-16(21-13)11-7-8-14(20-2)18-10-11/h7-8,10,12,17H,3-6,9H2,1-2H3.
What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 303.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3-pyridinyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 114938177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).