1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

C7H14N4OS2 — CID 63737133

IUPAC1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCN(C)c1nnc(SCC(O)CN)s1
InChIInChI=1S/C7H14N4OS2/c1-11(2)6-9-10-7(14-6)13-4-5(12)3-8/h5,12H,3-4,8H2,1-2H3
InChIKeyUCTRIMNANAHFQR-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.02
Rot. Bonds5

About 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol

1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (PubChem CID 63737133) has the molecular formula C7H14N4OS2 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
PubChem CID63737133
Molecular FormulaC7H14N4OS2
Molecular Weight234.35 g/mol
Exact Mass234.06
IUPAC Name1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCN(C)c1nnc(SCC(O)CN)s1
InChIInChI=1S/C7H14N4OS2/c1-11(2)6-9-10-7(14-6)13-4-5(12)3-8/h5,12H,3-4,8H2,1-2H3
InChIKeyUCTRIMNANAHFQR-UHFFFAOYSA-N
XLogP0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55242984
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 63736609
1-(Cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 63737131
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol
CID 63737132
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol
CID 63737134
5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737140
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol
CID 63737300
4-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyrrolidin-3-ol
CID 63737836
5-(3-amino-2-ethoxypropyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738902
2-Amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
CID 64805671
3-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol
CID 64805672
3-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol
CID 64805869

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (CID 63737133) is 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is CN(C)c1nnc(SCC(O)CN)s1.
What is the InChIKey of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The InChIKey is UCTRIMNANAHFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS2/c1-11(2)6-9-10-7(14-6)13-4-5(12)3-8/h5,12H,3-4,8H2,1-2H3.
What are the key properties of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol has a molecular weight of 234.35 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 63737133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).