1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol

C8H15N3O2S — CID 103875675

IUPAC1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-6-10-8(14-11-6)9-4-3-7(12)5-13-2/h7,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyYCXSSXHUBYXRQP-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.66
Rot. Bonds6

About 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol

1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol (PubChem CID 103875675) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
PubChem CID103875675
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
SMILESCOCC(O)CCNc1nc(C)ns1
InChIInChI=1S/C8H15N3O2S/c1-6-10-8(14-11-6)9-4-3-7(12)5-13-2/h7,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyYCXSSXHUBYXRQP-UHFFFAOYSA-N
XLogP0.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 107269261
N-(1-methoxypropan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268030
N-(1-methoxypentan-2-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273255
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
N-(2,2-dimethoxyethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 107390179
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
4-methoxy-3-N-(3-methyl-1,2,4-thiadiazol-5-yl)butane-1,3-diamine
CID 106154565
3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 133352699
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The IUPAC name of 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol (CID 103875675) is 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol.
What is the SMILES notation for 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The canonical SMILES for 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol is COCC(O)CCNc1nc(C)ns1.
What is the InChIKey of 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
The InChIKey is YCXSSXHUBYXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6-10-8(14-11-6)9-4-3-7(12)5-13-2/h7,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol?
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol has a molecular weight of 217.29 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol is sourced from PubChem (CID 103875675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).