1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

C17H24N2OS — CID 103987549

IUPAC1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2s1)CC1CCOC1
InChIInChI=1S/C17H24N2OS/c1-2-8-18-14(10-13-7-9-20-12-13)11-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyCGAINZUDENIOCC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.63
Rot. Bonds7

About 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (PubChem CID 103987549) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
PubChem CID103987549
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2s1)CC1CCOC1
InChIInChI=1S/C17H24N2OS/c1-2-8-18-14(10-13-7-9-20-12-13)11-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3
InChIKeyCGAINZUDENIOCC-UHFFFAOYSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105169791
1-(3-bromothiophen-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987571
1-(4-bromophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987520
1-(2,3-dichlorophenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 107309012
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
3-(1,3-benzothiazol-2-yl)-1,1-dimethoxy-N-propylpropan-2-amine
CID 79819111
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
3-(1,3-benzothiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propanamide
CID 94171701
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine (CID 103987549) is 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is CCCNC(Cc1nc2ccccc2s1)CC1CCOC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
The InChIKey is CGAINZUDENIOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-2-8-18-14(10-13-7-9-20-12-13)11-17-19-15-5-3-4-6-16(15)21-17/h3-6,13-14,18H,2,7-12H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine?
1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 103987549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).