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

C7H13N3OS2 — CID 64808489

IUPAC2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCNC(CO)CSc1nnc(C)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(3-11)8-2/h6,8,11H,3-4H2,1-2H3
InChIKeyXVAQMIHITXOSGM-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.52
Rot. Bonds5

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

2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64808489) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64808489
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCNC(CO)CSc1nnc(C)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(3-11)8-2/h6,8,11H,3-4H2,1-2H3
InChIKeyXVAQMIHITXOSGM-UHFFFAOYSA-N
XLogP0.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-isopropyl)-2-(5-methyl(1,3,4-thiadiazol-2-ylthio))acetamide
CID 4668021
N-[(2S)-1-hydroxypropan-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553873
N-[(2R)-1-hydroxypropan-2-yl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40553874
1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
1-(Methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876762
1-(Cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876763
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 60876943
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(propylamino)propan-2-ol
CID 60876944
1-(Ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876945
1-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]propan-2-amine
CID 62578680
2-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806830
2-(Ethylamino)-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64807885

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 64808489) is 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is CNC(CO)CSc1nnc(C)s1.
What is the InChIKey of 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is XVAQMIHITXOSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(3-11)8-2/h6,8,11H,3-4H2,1-2H3.
What are the key properties of 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64808489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).