(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine

C10H17N3OS — CID 97094875

IUPAC(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPHKKDGZMNBFOGA-MRVPVSSYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds2

About (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine

(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 97094875) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID97094875
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)c1nsc(N2CCOC[C@H]2C)n1
InChIInChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyPHKKDGZMNBFOGA-MRVPVSSYSA-N
XLogP1.89
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-oxazepane
CID 75376958
N-methyl-1-[4-methyl-2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 55111916
(3R)-3-methyl-4-[4-methyl-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155440037
(3R)-3-methyl-4-[4-methyl-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]morpholine
CID 155439964
N-methyl-1-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751448
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
5-methyl-6-(3-methylmorpholin-4-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80986419

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (CID 97094875) is (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is CC(C)c1nsc(N2CCOC[C@H]2C)n1.
What is the InChIKey of (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is PHKKDGZMNBFOGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)9-11-10(15-12-9)13-4-5-14-6-8(13)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 227.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 97094875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).