(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine

C20H18N6OS — CID 124882883

IUPAC(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(-c2nsc(N3CCOC[C@H]3c3ncnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6OS/c1-3-7-15(8-4-1)18-23-20(28-24-18)25-11-12-27-13-17(25)19-21-14-22-26(19)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m0/s1
InChIKeyKZHMNVYZYYVNLB-KRWDZBQOSA-N
MW390.47 g/mol
LogP3.36
Rot. Bonds4

About (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine

(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 124882883) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
PubChem CID124882883
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Name(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
SMILESc1ccc(-c2nsc(N3CCOC[C@H]3c3ncnn3-c3ccccc3)n2)cc1
InChIInChI=1S/C20H18N6OS/c1-3-7-15(8-4-1)18-23-20(28-24-18)25-11-12-27-13-17(25)19-21-14-22-26(19)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m0/s1
InChIKeyKZHMNVYZYYVNLB-KRWDZBQOSA-N
XLogP3.36
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-4-(6-chloro-2-methylpyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882773
3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
CID 133485535
(3S)-4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882906
4-[[3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]benzoic acid
CID 122034052
(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
CID 125142323
[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124740594
3-(2-benzyl-1,2,4-triazol-3-yl)-4-(1,3-thiazol-2-yl)morpholine
CID 154770896
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 129487298
(3S)-3-(2-benzyl-1,2,4-triazol-3-yl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 124882819
(3R)-3,4-diphenylmorpholine
CID 22860790
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(2-phenylpyrimidin-4-yl)morpholine
CID 97344130

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine (CID 124882883) is (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine is c1ccc(-c2nsc(N3CCOC[C@H]3c3ncnn3-c3ccccc3)n2)cc1.
What is the InChIKey of (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is KZHMNVYZYYVNLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-3-7-15(8-4-1)18-23-20(28-24-18)25-11-12-27-13-17(25)19-21-14-22-26(19)16-9-5-2-6-10-16/h1-10,14,17H,11-13H2/t17-/m0/s1.
What are the key properties of (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine?
(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 390.47 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 124882883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).