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

C6H11N3OS2 — CID 64807889

IUPAC2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(N)CO)s1
InChIInChI=1S/C6H11N3OS2/c1-4-8-9-6(12-4)11-3-5(7)2-10/h5,10H,2-3,7H2,1H3
InChIKeyRVVNCFGCOAFUEV-UHFFFAOYSA-N
MW205.31 g/mol
LogP0.26
Rot. Bonds4

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

2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 64807889) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID64807889
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1nnc(SCC(N)CO)s1
InChIInChI=1S/C6H11N3OS2/c1-4-8-9-6(12-4)11-3-5(7)2-10/h5,10H,2-3,7H2,1H3
InChIKeyRVVNCFGCOAFUEV-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol (CID 64807889) is 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is Cc1nnc(SCC(N)CO)s1.
What is the InChIKey of 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is RVVNCFGCOAFUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-4-8-9-6(12-4)11-3-5(7)2-10/h5,10H,2-3,7H2,1H3.
What are the key properties of 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol?
2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 205.31 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 64807889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).