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

C10H20N4OS2 — CID 63737300

IUPAC1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-5-11-6-8(15)7-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3
InChIKeyKMERJVDPFVKIGO-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.06
Rot. Bonds8

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

1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol (PubChem CID 63737300) has the molecular formula C10H20N4OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol
PubChem CID63737300
Molecular FormulaC10H20N4OS2
Molecular Weight276.43 g/mol
Exact Mass276.11
IUPAC Name1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CSc1nnc(N(C)C)s1
InChIInChI=1S/C10H20N4OS2/c1-4-5-11-6-8(15)7-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3
InChIKeyKMERJVDPFVKIGO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol?
The IUPAC name of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol (CID 63737300) is 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol is CCCNCC(O)CSc1nnc(N(C)C)s1.
What is the InChIKey of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol?
The InChIKey is KMERJVDPFVKIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4OS2/c1-4-5-11-6-8(15)7-16-10-13-12-9(17-10)14(2)3/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol?
1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-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 1-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propylamino)propan-2-ol is sourced from PubChem (CID 63737300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).