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

C10H18N4OS2 — CID 63737131

IUPAC1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCN(C)c1nnc(SCC(O)CNC2CC2)s1
InChIInChI=1S/C10H18N4OS2/c1-14(2)9-12-13-10(17-9)16-6-8(15)5-11-7-3-4-7/h7-8,11,15H,3-6H2,1-2H3
InChIKeyRNKMSEKTVPMNAV-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.81
Rot. Bonds7

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

1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (PubChem CID 63737131) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
PubChem CID63737131
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol
SMILESCN(C)c1nnc(SCC(O)CNC2CC2)s1
InChIInChI=1S/C10H18N4OS2/c1-14(2)9-12-13-10(17-9)16-6-8(15)5-11-7-3-4-7/h7-8,11,15H,3-6H2,1-2H3
InChIKeyRNKMSEKTVPMNAV-UHFFFAOYSA-N
XLogP0.81
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol (CID 63737131) is 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is CN(C)c1nnc(SCC(O)CNC2CC2)s1.
What is the InChIKey of 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
The InChIKey is RNKMSEKTVPMNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-14(2)9-12-13-10(17-9)16-6-8(15)5-11-7-3-4-7/h7-8,11,15H,3-6H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol?
1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-ol is sourced from PubChem (CID 63737131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).