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

C10H20N4OS2 — CID 64805868

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-11-8(7-15)5-6-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3
InChIKeyZWRBHCNIRGJSMT-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.06
Rot. Bonds8

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol (PubChem CID 64805868) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol
PubChem CID64805868
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-11-8(7-15)5-6-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3
InChIKeyZWRBHCNIRGJSMT-UHFFFAOYSA-N
XLogP1.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol (CID 64805868) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol is CCNC(CO)CCSc1nnc(N(C)C)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol?
The InChIKey is ZWRBHCNIRGJSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-4-11-8(7-15)5-6-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol has a molecular weight of 276.43 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64805868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).