[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

C17H19N3S — CID 39197108

IUPAC[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCc1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1
InChIInChI=1S/C17H19N3S/c1-11-6-8-12(9-7-11)16-14(10-18)20-13-4-2-3-5-15(13)21-17(20)19-16/h6-9H,2-5,10,18H2,1H3
InChIKeyTYWYKGSDMYWWFD-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.71
Rot. Bonds2

About [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine

[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (PubChem CID 39197108) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
PubChem CID39197108
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
SMILESCc1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1
InChIInChI=1S/C17H19N3S/c1-11-6-8-12(9-7-11)16-14(10-18)20-13-4-2-3-5-15(13)21-17(20)19-16/h6-9H,2-5,10,18H2,1H3
InChIKeyTYWYKGSDMYWWFD-UHFFFAOYSA-N
XLogP3.71
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The IUPAC name of [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine (CID 39197108) is [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine.
What is the SMILES notation for [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The canonical SMILES for [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is Cc1ccc(-c2nc3sc4c(n3c2CN)CCCC4)cc1.
What is the InChIKey of [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
The InChIKey is TYWYKGSDMYWWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-6-8-12(9-7-11)16-14(10-18)20-13-4-2-3-5-15(13)21-17(20)19-16/h6-9H,2-5,10,18H2,1H3.
What are the key properties of [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine?
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine has a molecular weight of 297.43 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine is sourced from PubChem (CID 39197108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).