N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine

C17H28N2S — CID 61334892

IUPACN-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
SMILESCC(C)CCC(C)(NC1CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H28N2S/c1-12(2)10-11-17(3,19-13-8-9-13)16-18-14-6-4-5-7-15(14)20-16/h12-13,19H,4-11H2,1-3H3
InChIKeyPBJBQDWFFFVOIM-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.43
Rot. Bonds6

About N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine

N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine (PubChem CID 61334892) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
PubChem CID61334892
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine
SMILESCC(C)CCC(C)(NC1CC1)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H28N2S/c1-12(2)10-11-17(3,19-13-8-9-13)16-18-14-6-4-5-7-15(14)20-16/h12-13,19H,4-11H2,1-3H3
InChIKeyPBJBQDWFFFVOIM-UHFFFAOYSA-N
XLogP4.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine?
The IUPAC name of N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine (CID 61334892) is N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine?
The canonical SMILES for N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine is CC(C)CCC(C)(NC1CC1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine?
The InChIKey is PBJBQDWFFFVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-12(2)10-11-17(3,19-13-8-9-13)16-18-14-6-4-5-7-15(14)20-16/h12-13,19H,4-11H2,1-3H3.
What are the key properties of N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine?
N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine has a molecular weight of 292.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-yl]cyclopropanamine is sourced from PubChem (CID 61334892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).