1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine

C15H26N2OS — CID 55120537

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)CC1CCOCC1
InChIInChI=1S/C15H26N2OS/c1-3-6-16-14(9-13-4-7-18-8-5-13)10-15-17-12(2)11-19-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyHIBSVXJXDZEKJM-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.18
Rot. Bonds7

About 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine

1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine (PubChem CID 55120537) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
PubChem CID55120537
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc(C)cs1)CC1CCOCC1
InChIInChI=1S/C15H26N2OS/c1-3-6-16-14(9-13-4-7-18-8-5-13)10-15-17-12(2)11-19-15/h11,13-14,16H,3-10H2,1-2H3
InChIKeyHIBSVXJXDZEKJM-UHFFFAOYSA-N
XLogP3.18
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 115415642
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-cyclobutyl-N-propylpropan-2-amine
CID 103169196
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethyl]propan-1-amine
CID 79909200
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 83176126
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579
N-[1-(3,4-dimethylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 64739453
1-(1,3-benzothiazol-2-yl)-3-(oxolan-3-yl)-N-propylpropan-2-amine
CID 103987549

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine (CID 55120537) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1nc(C)cs1)CC1CCOCC1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
The InChIKey is HIBSVXJXDZEKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-3-6-16-14(9-13-4-7-18-8-5-13)10-15-17-12(2)11-19-15/h11,13-14,16H,3-10H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine?
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine has a molecular weight of 282.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 55120537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).