2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

C6H11N3OS2 — CID 64805388

IUPAC2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(N)(CO)CSc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-6(7,2-10)3-11-5-9-8-4-12-5/h4,10H,2-3,7H2,1H3
InChIKeyPRGDQNVXRPFUMW-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.34
Rot. Bonds4

About 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol

2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (PubChem CID 64805388) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
PubChem CID64805388
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
SMILESCC(N)(CO)CSc1nncs1
InChIInChI=1S/C6H11N3OS2/c1-6(7,2-10)3-11-5-9-8-4-12-5/h4,10H,2-3,7H2,1H3
InChIKeyPRGDQNVXRPFUMW-UHFFFAOYSA-N
XLogP0.34
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64805387
2-Methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805993
2-Amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806204
2-Amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806405
2-Amino-2-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806406
2-Methyl-2-(methylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64806614
2-(Ethylamino)-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64806618
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
3-Amino-2-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
CID 64897891
2-Methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 66104212
2-Amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
CID 115384253

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol (CID 64805388) is 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is CC(N)(CO)CSc1nncs1.
What is the InChIKey of 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
The InChIKey is PRGDQNVXRPFUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-6(7,2-10)3-11-5-9-8-4-12-5/h4,10H,2-3,7H2,1H3.
What are the key properties of 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol?
2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol has a molecular weight of 205.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 64805388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).