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

C9H18N4OS2 — CID 64805869

IUPAC3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-4-10-7(5-14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3
InChIKeyLOHGKUMTTNEPOA-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.67
Rot. Bonds7

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

3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol (PubChem CID 64805869) has the molecular formula C9H18N4OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol
PubChem CID64805869
Molecular FormulaC9H18N4OS2
Molecular Weight262.40 g/mol
Exact Mass262.09
IUPAC Name3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H18N4OS2/c1-4-10-7(5-14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3
InChIKeyLOHGKUMTTNEPOA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol (CID 64805869) is 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol is CCNC(CO)CSc1nnc(N(C)C)s1.
What is the InChIKey of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol?
The InChIKey is LOHGKUMTTNEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS2/c1-4-10-7(5-14)6-15-9-12-11-8(16-9)13(2)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol?
3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-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 3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64805869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).