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

C8H16N4OS2 — CID 63737134

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4OS2/c1-9-4-6(13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3
InChIKeyBPUAADPPBMTCDJ-UHFFFAOYSA-N
MW248.38 g/mol
LogP0.28
Rot. Bonds6

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol (PubChem CID 63737134) has the molecular formula C8H16N4OS2 and a molecular weight of 248.38 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol
PubChem CID63737134
Molecular FormulaC8H16N4OS2
Molecular Weight248.38 g/mol
Exact Mass248.08
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol
SMILESCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C8H16N4OS2/c1-9-4-6(13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3
InChIKeyBPUAADPPBMTCDJ-UHFFFAOYSA-N
XLogP0.28
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 47073551
1-[[5-(Ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-morpholin-4-ylpropan-2-ol
CID 47134986
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55242984
N,N-dimethyl-5-[2-(3-propan-2-yloxypropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736828
5-[1-(2-methoxyethylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736995
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-Amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 63737133
5-(4-amino-3-ethoxybutyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737140
5-[4-(2-methoxyethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737169
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol
CID 63737300
5-[3-(2-methoxyethylamino)propylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737505

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol (CID 63737134) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol is CNCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol?
The InChIKey is BPUAADPPBMTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS2/c1-9-4-6(13)5-14-8-11-10-7(15-8)12(2)3/h6,9,13H,4-5H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol has a molecular weight of 248.38 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 63737134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).