(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C15H22N4O3S — CID 98775062

IUPAC(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1nc([C@@H]2CN(C[C@@H](O)COCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4O3S/c1-11-16-15(18-17-11)14-8-19(4-5-22-14)7-12(20)9-21-10-13-3-2-6-23-13/h2-3,6,12,14,20H,4-5,7-10H2,1H3,(H,16,17,18)/t12-,14+/m1/s1
InChIKeyMLEREEKTUJQTEG-OCCSQVGLSA-N
MW338.43 g/mol
LogP1.13
Rot. Bonds7

About (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 98775062) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID98775062
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC Name(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCc1nc([C@@H]2CN(C[C@@H](O)COCc3cccs3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4O3S/c1-11-16-15(18-17-11)14-8-19(4-5-22-14)7-12(20)9-21-10-13-3-2-6-23-13/h2-3,6,12,14,20H,4-5,7-10H2,1H3,(H,16,17,18)/t12-,14+/m1/s1
InChIKeyMLEREEKTUJQTEG-OCCSQVGLSA-N
XLogP1.13
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

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1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
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(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843702
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
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1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75420766
1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
(2S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 95327138
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
N-methyl-2-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 129461872

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 98775062) is (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is Cc1nc([C@@H]2CN(C[C@@H](O)COCc3cccs3)CCO2)n[nH]1.
What is the InChIKey of (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is MLEREEKTUJQTEG-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-11-16-15(18-17-11)14-8-19(4-5-22-14)7-12(20)9-21-10-13-3-2-6-23-13/h2-3,6,12,14,20H,4-5,7-10H2,1H3,(H,16,17,18)/t12-,14+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 98775062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).