2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine

C13H20N6OS — CID 133443852

IUPAC2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCc1nc(C2CN(c3nc(C(C)C)ns3)CCO2)n[nH]1
InChIInChI=1S/C13H20N6OS/c1-4-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(8(2)3)18-21-13/h8-9H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyUVQPNMDYWWZKLN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.92
Rot. Bonds4

About 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine

2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 133443852) has the molecular formula C13H20N6OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID133443852
Molecular FormulaC13H20N6OS
Molecular Weight308.41 g/mol
Exact Mass308.14
IUPAC Name2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCc1nc(C2CN(c3nc(C(C)C)ns3)CCO2)n[nH]1
InChIInChI=1S/C13H20N6OS/c1-4-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(8(2)3)18-21-13/h8-9H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyUVQPNMDYWWZKLN-UHFFFAOYSA-N
XLogP1.92
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 127728912
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]morpholine
CID 127494007
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
CID 79839516
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
5-[3-(difluoromethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 166600619
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133374866
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[1-(2-fluorophenyl)ethyl]morpholine
CID 71928126
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1S)-1-(2-fluorophenyl)ethyl]morpholine
CID 96996960
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine (CID 133443852) is 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is CCc1nc(C2CN(c3nc(C(C)C)ns3)CCO2)n[nH]1.
What is the InChIKey of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is UVQPNMDYWWZKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6OS/c1-4-10-14-12(17-16-10)9-7-19(5-6-20-9)13-15-11(8(2)3)18-21-13/h8-9H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine?
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 308.41 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 133443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).