[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine

C12H21N3OS — CID 55117567

IUPAC[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CC(C)OC(C)(C)C2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-8-6-15(7-12(3,4)16-8)11-14-9(2)10(5-13)17-11/h8H,5-7,13H2,1-4H3
InChIKeyWRJXFEHWZAZRAW-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.91
Rot. Bonds2

About [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine

[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 55117567) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID55117567
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CC(C)OC(C)(C)C2)sc1CN
InChIInChI=1S/C12H21N3OS/c1-8-6-15(7-12(3,4)16-8)11-14-9(2)10(5-13)17-11/h8H,5-7,13H2,1-4H3
InChIKeyWRJXFEHWZAZRAW-UHFFFAOYSA-N
XLogP1.91
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

((4-Methyl-2-(morpholin-4-yl)-1,3-thiazol-5-yl)methyl)((4-methylmorpholin-2-yl)methyl)amine
CID 53551652
Cambridge id 6223053
CID 1338962
4-(4,5-Dimethyl-1,3-thiazol-2-yl)morpholine
CID 23076518
1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 95159202
(4aS,7aS)-6-(4,5-dimethyl-1,3-thiazol-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 122561669
N-ethyl-5-[(2-methoxyethylamino)methyl]-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767163
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767832
5-[(2-methoxyethylamino)methyl]-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768541
5-[(2-methoxyethylamino)methyl]-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62768547
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
CID 65530382
[2-Morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116276654
N-methyl-1-[2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116276867

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine (CID 55117567) is [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine is Cc1nc(N2CC(C)OC(C)(C)C2)sc1CN.
What is the InChIKey of [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is WRJXFEHWZAZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-8-6-15(7-12(3,4)16-8)11-14-9(2)10(5-13)17-11/h8H,5-7,13H2,1-4H3.
What are the key properties of [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine?
[4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 255.39 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,2,6-trimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 55117567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).