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

C15H24N2OS — CID 82718648

IUPAC2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCCCNC1(c2nc3c(s2)CCCC3)CCOC1C
InChIInChI=1S/C15H24N2OS/c1-3-9-16-15(8-10-18-11(15)2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3
InChIKeyFSIOQGHZBKGVSX-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.03
Rot. Bonds4

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

2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (PubChem CID 82718648) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
PubChem CID82718648
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCCCNC1(c2nc3c(s2)CCCC3)CCOC1C
InChIInChI=1S/C15H24N2OS/c1-3-9-16-15(8-10-18-11(15)2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3
InChIKeyFSIOQGHZBKGVSX-UHFFFAOYSA-N
XLogP3.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (CID 82718648) is 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is CCCNC1(c2nc3c(s2)CCCC3)CCOC1C.
What is the InChIKey of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The InChIKey is FSIOQGHZBKGVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-9-16-15(8-10-18-11(15)2)14-17-12-6-4-5-7-13(12)19-14/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine has a molecular weight of 280.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 82718648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).