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

C12H22N4OS2 — CID 64805870

IUPAC2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol
SMILESCN(C)c1nnc(SCCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C12H22N4OS2/c1-12(8-17,13-9-4-5-9)6-7-18-11-15-14-10(19-11)16(2)3/h9,13,17H,4-8H2,1-3H3
InChIKeyPZVDIZGOAIDBHQ-UHFFFAOYSA-N
MW302.47 g/mol
LogP1.59
Rot. Bonds8

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

2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol (PubChem CID 64805870) has the molecular formula C12H22N4OS2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol
PubChem CID64805870
Molecular FormulaC12H22N4OS2
Molecular Weight302.47 g/mol
Exact Mass302.12
IUPAC Name2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol
SMILESCN(C)c1nnc(SCCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C12H22N4OS2/c1-12(8-17,13-9-4-5-9)6-7-18-11-15-14-10(19-11)16(2)3/h9,13,17H,4-8H2,1-3H3
InChIKeyPZVDIZGOAIDBHQ-UHFFFAOYSA-N
XLogP1.59
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol (CID 64805870) is 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol is CN(C)c1nnc(SCCC(C)(CO)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol?
The InChIKey is PZVDIZGOAIDBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS2/c1-12(8-17,13-9-4-5-9)6-7-18-11-15-14-10(19-11)16(2)3/h9,13,17H,4-8H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol has a molecular weight of 302.47 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol is sourced from PubChem (CID 64805870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).