1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

C13H22N2OS — CID 103559485

IUPAC1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)CC1(OC)CCC1
InChIInChI=1S/C13H22N2OS/c1-10-15-12(9-17-10)7-11(14-2)8-13(16-3)5-4-6-13/h9,11,14H,4-8H2,1-3H3
InChIKeyJIHKSVWKUKAFAR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.54
Rot. Bonds6

About 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine

1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (PubChem CID 103559485) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
PubChem CID103559485
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)CC1(OC)CCC1
InChIInChI=1S/C13H22N2OS/c1-10-15-12(9-17-10)7-11(14-2)8-13(16-3)5-4-6-13/h9,11,14H,4-8H2,1-3H3
InChIKeyJIHKSVWKUKAFAR-UHFFFAOYSA-N
XLogP2.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxycyclobutyl)-N-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 103559441
1-(1-ethoxycyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116763827
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-[(4-methoxypiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 114284448
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine
CID 62800047
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
1-(1,3-diethylpyrazol-5-yl)-3-(1-methoxycyclobutyl)-N-methylpropan-2-amine
CID 103559525
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanamine
CID 79060778
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(4-propan-2-ylphenyl)propan-2-amine
CID 62799687
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 116767135
N-methyl-4-(2-methylphenyl)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 105159025

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine (CID 103559485) is 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is CNC(Cc1csc(C)n1)CC1(OC)CCC1.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is JIHKSVWKUKAFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-15-12(9-17-10)7-11(14-2)8-13(16-3)5-4-6-13/h9,11,14H,4-8H2,1-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine?
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 103559485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).