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

C6H11N3OS3 — CID 115384253

IUPAC2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCSc1nnc(SCC(N)CO)s1
InChIInChI=1S/C6H11N3OS3/c1-11-5-8-9-6(13-5)12-3-4(7)2-10/h4,10H,2-3,7H2,1H3
InChIKeyHWLQUVPSYZQCGK-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.67
Rot. Bonds5

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

2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 115384253) has the molecular formula C6H11N3OS3 and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID115384253
Molecular FormulaC6H11N3OS3
Molecular Weight237.37 g/mol
Exact Mass237.01
IUPAC Name2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCSc1nnc(SCC(N)CO)s1
InChIInChI=1S/C6H11N3OS3/c1-11-5-8-9-6(13-5)12-3-4(7)2-10/h4,10H,2-3,7H2,1H3
InChIKeyHWLQUVPSYZQCGK-UHFFFAOYSA-N
XLogP0.67
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol with MolForge

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Related Compounds

2-Amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805388
2-(Methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805590
2-(Ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805989
2-(Propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806202
2-Amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806405
2-Amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64806829
2-(Methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806830
2-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 64807889
2-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64808488
3-Amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64897891
3-Amino-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64897935
3-Amino-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-ol
CID 64898311

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 115384253) is 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is CSc1nnc(SCC(N)CO)s1.
What is the InChIKey of 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is HWLQUVPSYZQCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS3/c1-11-5-8-9-6(13-5)12-3-4(7)2-10/h4,10H,2-3,7H2,1H3.
What are the key properties of 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 237.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 115384253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).