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

C12H20N2OS — CID 62800047

IUPACN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)CC1CCCO1
InChIInChI=1S/C12H20N2OS/c1-9-14-11(8-16-9)6-10(13-2)7-12-4-3-5-15-12/h8,10,12-13H,3-7H2,1-2H3
InChIKeyRLFGDMQAGHMFCX-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.15
Rot. Bonds5

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

N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine (PubChem CID 62800047) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine
PubChem CID62800047
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine
SMILESCNC(Cc1csc(C)n1)CC1CCCO1
InChIInChI=1S/C12H20N2OS/c1-9-14-11(8-16-9)6-10(13-2)7-12-4-3-5-15-12/h8,10,12-13H,3-7H2,1-2H3
InChIKeyRLFGDMQAGHMFCX-UHFFFAOYSA-N
XLogP2.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methyl-1,3-thiazol-2-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198617
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(oxolan-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 47095095
N,6-dimethyl-1-(2-methyl-1,3-thiazol-4-yl)heptan-2-amine
CID 83162096
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
1-(4-fluorophenyl)sulfanyl-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 66071610
1-cycloheptyl-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 104997127
1-cyclopentyl-3-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-2-amine
CID 62797585
1-(1-methoxycyclobutyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 103559485
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)hex-4-yn-2-amine
CID 62799510
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
1-cyclopentyl-N-methyl-3-(oxolan-2-yl)propan-2-amine
CID 62602079
1-(5-fluoro-2-methylphenyl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 105373853

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine (CID 62800047) is N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine is CNC(Cc1csc(C)n1)CC1CCCO1.
What is the InChIKey of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is RLFGDMQAGHMFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-14-11(8-16-9)6-10(13-2)7-12-4-3-5-15-12/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine?
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 62800047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).