N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

C12H21N3OS — CID 79171502

IUPACN-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CN(C)CCO1)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-3-11(12-13-4-7-17-12)14-8-10-9-15(2)5-6-16-10/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3
InChIKeyOICFWYMOBFLYTH-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.51
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine

N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 79171502) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID79171502
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
SMILESCCC(NCC1CN(C)CCO1)c1nccs1
InChIInChI=1S/C12H21N3OS/c1-3-11(12-13-4-7-17-12)14-8-10-9-15(2)5-6-16-10/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3
InChIKeyOICFWYMOBFLYTH-UHFFFAOYSA-N
XLogP1.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpropan-1-amine
CID 95291809
1-(4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 78997863
1-(2-methoxyphenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79083025
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 116521490
1-(3-bromothiophen-2-yl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79082017
1-(2-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 112634306
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
3-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-2-amine
CID 75356168
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-1-(1,3-thiazol-2-yl)propan-1-amine
CID 102894599
N-[1-(1,3-thiazol-2-yl)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364633
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine (CID 79171502) is N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is CCC(NCC1CN(C)CCO1)c1nccs1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is OICFWYMOBFLYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-3-11(12-13-4-7-17-12)14-8-10-9-15(2)5-6-16-10/h4,7,10-11,14H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine?
N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 79171502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).