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

C9H17N3O2S — CID 106253886

IUPAC4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)s1
InChIInChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12)
InChIKeyPDZIKWJRAOIYKF-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.05
Rot. Bonds6

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

4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (PubChem CID 106253886) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
PubChem CID106253886
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNc1nnc(C)s1
InChIInChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12)
InChIKeyPDZIKWJRAOIYKF-UHFFFAOYSA-N
XLogP1.05
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106253734
1-[(5-amino-1,3-thiazol-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106251038
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butan-2-ol
CID 114164482
2,2-difluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 104858416
2-ethyl-1-N-(5-methyl-1,3,4-thiadiazol-2-yl)butane-1,2-diamine
CID 115306160
4-methoxy-2-methyl-1-[(3-methylpyrazin-2-yl)amino]butan-2-ol
CID 106253528
2-acetamido-N-(2-hydroxy-4-methoxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 103712589
4-methoxy-2-methyl-1-[(3-methyl-2-pyridinyl)amino]butan-2-ol
CID 106253494
2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethoxy]ethanol
CID 65209385
1-[(5-bromo-6-methyl-2-pyridinyl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106254505
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257973
3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 64982534

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol (CID 106253886) is 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is COCCC(C)(O)CNc1nnc(C)s1.
What is the InChIKey of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
The InChIKey is PDZIKWJRAOIYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7-11-12-8(15-7)10-6-9(2,13)4-5-14-3/h13H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol has a molecular weight of 231.32 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 106253886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).