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

C16H21N3OS — CID 133485535

IUPAC3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)CC1COCCN1c1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H21N3OS/c1-12(2)10-14-11-20-9-8-19(14)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyABVFBWCPURZNRP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.46
Rot. Bonds4

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

3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 133485535) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID133485535
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCC(C)CC1COCCN1c1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H21N3OS/c1-12(2)10-14-11-20-9-8-19(14)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyABVFBWCPURZNRP-UHFFFAOYSA-N
XLogP3.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-(2-phenyl-1,2,4-triazol-3-yl)morpholine
CID 124882883
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83095298
4-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3-(2-methylpropyl)morpholine
CID 72923022
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfonyl]morpholine
CID 18346888
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
CID 107305975
2-methyl-1-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butan-1-one
CID 142080060
2-(3-methylmorpholin-4-yl)-4-phenyl-1,3-thiazole-5-carbaldehyde
CID 62765068
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
(3R)-3-methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 97094875
4-[(3S)-3-(2-methylpropyl)morpholine-4-carbonyl]benzoic acid
CID 124681978
3-ethyl-4-phenylmorpholine
CID 154695616

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine (CID 133485535) is 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine is CC(C)CC1COCCN1c1nc(-c2ccccc2)ns1.
What is the InChIKey of 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is ABVFBWCPURZNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12(2)10-14-11-20-9-8-19(14)16-17-15(18-21-16)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine?
3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 303.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 133485535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).