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

C10H17N3OS2 — CID 64807899

IUPAC2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-9(16-7)15-6-10(2,5-14)11-8-3-4-8/h8,11,14H,3-6H2,1-2H3
InChIKeyKDJQOUMQYORYKK-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.44
Rot. Bonds6

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

2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64807899) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64807899
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC Name2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(C)(CO)NC2CC2)s1
InChIInChI=1S/C10H17N3OS2/c1-7-12-13-9(16-7)15-6-10(2,5-14)11-8-3-4-8/h8,11,14H,3-6H2,1-2H3
InChIKeyKDJQOUMQYORYKK-UHFFFAOYSA-N
XLogP1.44
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.44
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-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 64807899) is 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is Cc1nnc(SCC(C)(CO)NC2CC2)s1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is KDJQOUMQYORYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-7-12-13-9(16-7)15-6-10(2,5-14)11-8-3-4-8/h8,11,14H,3-6H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 259.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).