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

C17H30N2S — CID 63405307

IUPAC5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
SMILESCCCNC(C)(CCC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H30N2S/c1-5-12-18-17(4,11-10-13(2)3)16-19-14-8-6-7-9-15(14)20-16/h13,18H,5-12H2,1-4H3
InChIKeyMPCAKJBYFFLROT-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.67
Rot. Bonds7

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

5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine (PubChem CID 63405307) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
PubChem CID63405307
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC Name5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine
SMILESCCCNC(C)(CCC(C)C)c1nc2c(s1)CCCC2
InChIInChI=1S/C17H30N2S/c1-5-12-18-17(4,11-10-13(2)3)16-19-14-8-6-7-9-15(14)20-16/h13,18H,5-12H2,1-4H3
InChIKeyMPCAKJBYFFLROT-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine?
The IUPAC name of 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine (CID 63405307) is 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine?
The canonical SMILES for 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine is CCCNC(C)(CCC(C)C)c1nc2c(s1)CCCC2.
What is the InChIKey of 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine?
The InChIKey is MPCAKJBYFFLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-5-12-18-17(4,11-10-13(2)3)16-19-14-8-6-7-9-15(14)20-16/h13,18H,5-12H2,1-4H3.
What are the key properties of 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine?
5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine has a molecular weight of 294.51 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)hexan-2-amine is sourced from PubChem (CID 63405307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).