N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C12H21N3OS — CID 62752264

IUPACN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCOC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyHHRDJSDRFNMJKB-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.87
Rot. Bonds4

About N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62752264) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62752264
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(N2CCOC(C)C2)s1
InChIInChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyHHRDJSDRFNMJKB-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 55114053
N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751801
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389
N-[[4-(2-methylmorpholin-4-yl)-2-pyridinyl]methyl]propan-2-amine
CID 55054705
N-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62967415
N-[[2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79088240
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906
N-[[2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62751920
N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63512881
N-[[3-methyl-4-(2-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 55040210
N-[[2-(3-methylsulfonylthiomorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66383428
[2-(2-ethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
CID 62751187

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62752264) is N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cnc(N2CCOC(C)C2)s1.
What is the InChIKey of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is HHRDJSDRFNMJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9(2)13-6-11-7-14-12(17-11)15-4-5-16-10(3)8-15/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 255.39 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62752264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).