2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C10H17N3OS2 — CID 64805990

IUPAC2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(CO)(CCSc1nncs1)NC1CC1
InChIInChI=1S/C10H17N3OS2/c1-10(6-14,12-8-2-3-8)4-5-15-9-13-11-7-16-9/h7-8,12,14H,2-6H2,1H3
InChIKeyROQAAUVYDVBKNQ-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.52
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64805990) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64805990
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCC(CO)(CCSc1nncs1)NC1CC1
InChIInChI=1S/C10H17N3OS2/c1-10(6-14,12-8-2-3-8)4-5-15-9-13-11-7-16-9/h7-8,12,14H,2-6H2,1H3
InChIKeyROQAAUVYDVBKNQ-UHFFFAOYSA-N
XLogP1.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64805990) is 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is CC(CO)(CCSc1nncs1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is ROQAAUVYDVBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-10(6-14,12-8-2-3-8)4-5-15-9-13-11-7-16-9/h7-8,12,14H,2-6H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 259.40 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-(cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64805990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).