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

C6H10N2OS2 — CID 60878426

IUPAC1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(C)O)s1
InChIInChI=1S/C6H10N2OS2/c1-4(9)3-10-6-8-7-5(2)11-6/h4,9H,3H2,1-2H3
InChIKeyHRTBPQUCKFZTPN-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.32
Rot. Bonds3

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

1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 60878426) has the molecular formula C6H10N2OS2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID60878426
Molecular FormulaC6H10N2OS2
Molecular Weight190.29 g/mol
Exact Mass190.02
IUPAC Name1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCc1nnc(SCC(C)O)s1
InChIInChI=1S/C6H10N2OS2/c1-4(9)3-10-6-8-7-5(2)11-6/h4,9H,3H2,1-2H3
InChIKeyHRTBPQUCKFZTPN-UHFFFAOYSA-N
XLogP1.32
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 60878426) is 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is Cc1nnc(SCC(C)O)s1.
What is the InChIKey of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is HRTBPQUCKFZTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS2/c1-4(9)3-10-6-8-7-5(2)11-6/h4,9H,3H2,1-2H3.
What are the key properties of 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 190.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 60878426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).