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

C7H13N3OS2 — CID 64805590

IUPAC2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCNC(CO)CCSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-8-6(4-11)2-3-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3
InChIKeyOODOQDDJALOITJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.60
Rot. Bonds6

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

2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64805590) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64805590
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCNC(CO)CCSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-8-6(4-11)2-3-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3
InChIKeyOODOQDDJALOITJ-UHFFFAOYSA-N
XLogP0.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Cyclopropylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166400
1-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166401
1-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166402
1-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43166403
1-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
CID 43188141
2-Methyl-2-(propan-2-ylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805592
2-Methyl-2-(propan-2-ylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64805791
2-(Ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805793
2-(Propylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805796
2-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805989
2-(Cyclopropylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805990
2-(Ethylamino)-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805992

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64805590) is 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is CNC(CO)CCSc1nncs1.
What is the InChIKey of 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is OODOQDDJALOITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-8-6(4-11)2-3-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3.
What are the key properties of 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64805590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).