[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol

C10H17N3O2S — CID 79838968

IUPAC[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
SMILESCC(C)c1nsc(N2CCOC(CO)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)9-11-10(16-12-9)13-3-4-15-8(5-13)6-14/h7-8,14H,3-6H2,1-2H3
InChIKeyKYEWNMPSWZTDDW-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.86
Rot. Bonds3

About [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol

[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol (PubChem CID 79838968) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
PubChem CID79838968
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
SMILESCC(C)c1nsc(N2CCOC(CO)C2)n1
InChIInChI=1S/C10H17N3O2S/c1-7(2)9-11-10(16-12-9)13-3-4-15-8(5-13)6-14/h7-8,14H,3-6H2,1-2H3
InChIKeyKYEWNMPSWZTDDW-UHFFFAOYSA-N
XLogP0.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71866356
3-Methyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholine
CID 71861557
1-[4-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 71988591
1-Morpholin-4-yl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-2-ol
CID 84591120
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 96566785
1-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]propan-2-ol
CID 132380406
[4-[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305723
[5-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305725
[6,6-Dimethyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305743
[6-Methyl-4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanol
CID 107305754
(2S)-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-(3,3,3-trifluoropropyl)amino]propane-1,2-diol
CID 111976999
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2-methylmorpholine
CID 71925339

Frequently Asked Questions

What is the IUPAC name of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol (CID 79838968) is [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol is CC(C)c1nsc(N2CCOC(CO)C2)n1.
What is the InChIKey of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The InChIKey is KYEWNMPSWZTDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)9-11-10(16-12-9)13-3-4-15-8(5-13)6-14/h7-8,14H,3-6H2,1-2H3.
What are the key properties of [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol has a molecular weight of 243.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 79838968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).