N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine

C12H21N3OS — CID 62752148

IUPACN-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)C2CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-9(13-2)11-8-14-12(17-11)15(3)10-4-6-16-7-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyYZVGCRJKAVVIIZ-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.04
Rot. Bonds4

About N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine

N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (PubChem CID 62752148) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
PubChem CID62752148
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)C2CCOCC2)s1
InChIInChI=1S/C12H21N3OS/c1-9(13-2)11-8-14-12(17-11)15(3)10-4-6-16-7-5-10/h8-10,13H,4-7H2,1-3H3
InChIKeyYZVGCRJKAVVIIZ-UHFFFAOYSA-N
XLogP2.04
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(ethylamino)ethyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754199
N-methyl-5-[1-(methylamino)ethyl]-N-(2-methyloxolan-3-yl)-1,3-thiazol-2-amine
CID 82754018
[2-[methyl(oxan-4-yl)amino]-1,3-thiazol-5-yl]methanol
CID 62752479
5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55111876
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3-thiazol-2-amine
CID 62750433
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-2-ylmethyl)-1,3-thiazol-2-amine
CID 62754771
5-[1-(ethylamino)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 55113578
N-cyclohexyl-N-ethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750040
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-methyl-5-[1-(methylamino)ethyl]-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62751974
N-methyl-5-[1-(propylamino)ethyl]-N-(thiolan-3-yl)-1,3-thiazol-2-amine
CID 62750099

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine (CID 62752148) is N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is CNC(C)c1cnc(N(C)C2CCOCC2)s1.
What is the InChIKey of N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
The InChIKey is YZVGCRJKAVVIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(13-2)11-8-14-12(17-11)15(3)10-4-6-16-7-5-10/h8-10,13H,4-7H2,1-3H3.
What are the key properties of N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine?
N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine has a molecular weight of 255.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(methylamino)ethyl]-N-(oxan-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62752148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).