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

C9H18N4OS2 — CID 63737132

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-4-10-5-7(14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3
InChIKeyPPNUWNHUYOJDHO-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.67
Rot. Bonds7

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol (PubChem CID 63737132) has the molecular formula C9H18N4OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol
PubChem CID63737132
Molecular FormulaC9H18N4OS2
Molecular Weight262.40 g/mol
Exact Mass262.09
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-4-10-5-7(14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3
InChIKeyPPNUWNHUYOJDHO-UHFFFAOYSA-N
XLogP0.67
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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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
5-[1-(3-methoxypropylamino)propan-2-ylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736641
N,N-dimethyl-5-[2-(3-propan-2-yloxypropylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 63736828
5-[2-(2-methoxyethylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736829
5-[2-(3-methoxypropylamino)ethylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63736989
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-Amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
CID 63737133
1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(methylamino)propan-2-ol
CID 63737134
5-[4-(2-methoxyethylamino)butylsulfanyl]-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63737169

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol (CID 63737132) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol is CCNCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol?
The InChIKey is PPNUWNHUYOJDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS2/c1-4-10-5-7(14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(ethylamino)propan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 0.67, 7 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-(ethylamino)propan-2-ol is sourced from PubChem (CID 63737132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).