(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

C14H21N5OS — CID 95978917

IUPAC(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@H]2CN(Cc3cnc(C)s3)CCO2)n1
InChIInChI=1S/C14H21N5OS/c1-10-16-11(2)19(17-10)8-13-7-18(4-5-20-13)9-14-6-15-12(3)21-14/h6,13H,4-5,7-9H2,1-3H3/t13-/m1/s1
InChIKeySCGUPVZEHYPPEM-CYBMUJFWSA-N
MW307.42 g/mol
LogP1.56
Rot. Bonds4

About (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine

(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 95978917) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID95978917
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
SMILESCc1nc(C)n(C[C@H]2CN(Cc3cnc(C)s3)CCO2)n1
InChIInChI=1S/C14H21N5OS/c1-10-16-11(2)19(17-10)8-13-7-18(4-5-20-13)9-14-6-15-12(3)21-14/h6,13H,4-5,7-9H2,1-3H3/t13-/m1/s1
InChIKeySCGUPVZEHYPPEM-CYBMUJFWSA-N
XLogP1.56
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
(2S)-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholine
CID 95978918
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95978930
5-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 95305610
1-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]methyl]cyclohexan-1-ol
CID 95751147
(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-quinoxalin-2-ylmorpholine
CID 95764324
5-[(2-ethylmorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 79771446
3-[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]morpholin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95750660
3,5-dimethyl-1-[[(2R)-oxiran-2-yl]methyl]-1,2,4-triazole
CID 130493015
[4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]methanol
CID 81213350
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine (CID 95978917) is (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is Cc1nc(C)n(C[C@H]2CN(Cc3cnc(C)s3)CCO2)n1.
What is the InChIKey of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is SCGUPVZEHYPPEM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10-16-11(2)19(17-10)8-13-7-18(4-5-20-13)9-14-6-15-12(3)21-14/h6,13H,4-5,7-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine?
(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 307.42 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 95978917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).