[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine

C13H23N3OS — CID 104961227

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-4-5-11-12(6-14)18-13(15-11)16-7-9(2)17-10(3)8-16/h9-10H,4-8,14H2,1-3H3/t9-,10+
InChIKeyPLFDIXGNYJVCFR-AOOOYVTPSA-N
MW269.41 g/mol
LogP2.17
Rot. Bonds4

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine (PubChem CID 104961227) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
PubChem CID104961227
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
SMILESCCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CN
InChIInChI=1S/C13H23N3OS/c1-4-5-11-12(6-14)18-13(15-11)16-7-9(2)17-10(3)8-16/h9-10H,4-8,14H2,1-3H3/t9-,10+
InChIKeyPLFDIXGNYJVCFR-AOOOYVTPSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,6-dimethylmorpholin-4-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 62766514
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 115562457
[2-(3,4-dimethylpyrrolidin-1-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 107510564
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 63002607
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889258
1-[2-(3,5-dimethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62764474
N-[[4-propyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114540518
[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 65322070

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine (CID 104961227) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine is CCCc1nc(N2C[C@@H](C)O[C@@H](C)C2)sc1CN.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is PLFDIXGNYJVCFR-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-4-5-11-12(6-14)18-13(15-11)16-7-9(2)17-10(3)8-16/h9-10H,4-8,14H2,1-3H3/t9-,10+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 104961227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).