1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H22N2OS — CID 114363491

IUPAC1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(C2(OC)CCC2)sc1CNC
InChIInChI=1S/C13H22N2OS/c1-4-6-10-11(9-14-2)17-12(15-10)13(16-3)7-5-8-13/h14H,4-9H2,1-3H3
InChIKeyVGGLWQUVGLOPMH-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.84
Rot. Bonds6

About 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 114363491) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID114363491
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCCCc1nc(C2(OC)CCC2)sc1CNC
InChIInChI=1S/C13H22N2OS/c1-4-6-10-11(9-14-2)17-12(15-10)13(16-3)7-5-8-13/h14H,4-9H2,1-3H3
InChIKeyVGGLWQUVGLOPMH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(1-methoxycyclohexyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114363814
1-[4-ethyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116778029
N-[[2-(1-methoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366222
N-[[4-ethyl-2-(1-methoxycyclobutyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116730759
1-[2-(1-methoxycycloheptyl)-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114364760
1-[2-(1-methoxycyclobutyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730681
N-[[4-ethyl-2-(1-methoxycyclohexyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116778078
N-[[4-(methoxymethyl)-2-(4-methoxyoxan-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366119
N-[[2-(1-ethoxycyclohexyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366160
1-[4-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366904
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
N-[[2-(1-methoxycyclopentyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104611824

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 114363491) is 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is CCCc1nc(C2(OC)CCC2)sc1CNC.
What is the InChIKey of 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is VGGLWQUVGLOPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-6-10-11(9-14-2)17-12(15-10)13(16-3)7-5-8-13/h14H,4-9H2,1-3H3.
What are the key properties of 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxycyclobutyl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 114363491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).