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

C8H15N3OS2 — CID 64808088

IUPAC2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCNC(CO)CCSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-4-3-7(5-12)9-2/h7,9,12H,3-5H2,1-2H3
InChIKeyMXJNSTMBPYIRSX-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.91
Rot. Bonds6

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

2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (PubChem CID 64808088) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
PubChem CID64808088
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
SMILESCNC(CO)CCSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-4-3-7(5-12)9-2/h7,9,12H,3-5H2,1-2H3
InChIKeyMXJNSTMBPYIRSX-UHFFFAOYSA-N
XLogP0.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The IUPAC name of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol (CID 64808088) is 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is CNC(CO)CCSc1nnc(C)s1.
What is the InChIKey of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
The InChIKey is MXJNSTMBPYIRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-4-3-7(5-12)9-2/h7,9,12H,3-5H2,1-2H3.
What are the key properties of 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol?
2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol is sourced from PubChem (CID 64808088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).