2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

C11H17N3OS2 — CID 64805386

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESOCC(CSc1nncs1)(NC1CC1)C1CC1
InChIInChI=1S/C11H17N3OS2/c15-5-11(8-1-2-8,13-9-3-4-9)6-16-10-14-12-7-17-10/h7-9,13,15H,1-6H2
InChIKeyYFTKQJCAAQQDNB-UHFFFAOYSA-N
MW271.41 g/mol
LogP1.52
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64805386) has the molecular formula C11H17N3OS2 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID64805386
Molecular FormulaC11H17N3OS2
Molecular Weight271.41 g/mol
Exact Mass271.08
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESOCC(CSc1nncs1)(NC1CC1)C1CC1
InChIInChI=1S/C11H17N3OS2/c15-5-11(8-1-2-8,13-9-3-4-9)6-16-10-14-12-7-17-10/h7-9,13,15H,1-6H2
InChIKeyYFTKQJCAAQQDNB-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805591
2-Methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805592
2-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805593
2-Methyl-2-(propan-2-ylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805791
2-(Cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805792
2-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805990
2-Methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805991
2-Cyclopropyl-2-(propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806203
2-Methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64806206
2-(Cyclopropylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806403
2-Methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806404
2-Methyl-2-(propylamino)-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
CID 64806407

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 64805386) is 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is OCC(CSc1nncs1)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is YFTKQJCAAQQDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS2/c15-5-11(8-1-2-8,13-9-3-4-9)6-16-10-14-12-7-17-10/h7-9,13,15H,1-6H2.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 271.41 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64805386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).