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

C11H13N3OS2 — CID 112586571

IUPAC1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc(C)ns2)cn1
InChIInChI=1S/C11H13N3OS2/c1-3-10(15)9-5-4-8(6-12-9)16-11-13-7(2)14-17-11/h4-6,10,15H,3H2,1-2H3
InChIKeyPRVWAQCDOYIXGM-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.84
Rot. Bonds4

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

1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol (PubChem CID 112586571) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
PubChem CID112586571
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol
SMILESCCC(O)c1ccc(Sc2nc(C)ns2)cn1
InChIInChI=1S/C11H13N3OS2/c1-3-10(15)9-5-4-8(6-12-9)16-11-13-7(2)14-17-11/h4-6,10,15H,3H2,1-2H3
InChIKeyPRVWAQCDOYIXGM-UHFFFAOYSA-N
XLogP2.84
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586531
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485
1-[5-(1,3-benzothiazol-2-ylsulfanyl)-2-pyridinyl]propan-1-ol
CID 115941653
(1S)-1-[5-(4-bromophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355459
(1S)-1-[5-(4-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355452
(1S)-1-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-pyridinyl]propan-1-ol
CID 113355469
(1R)-1-[5-(3,4-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939372
(1S)-1-(5-tert-butylsulfanyl-2-pyridinyl)propan-1-ol
CID 103939309
1-[5-(2-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586546
1-[5-(3-chlorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586532
1-[5-(3-fluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 112586568
(1S)-1-[5-(2,5-difluorophenyl)sulfanyl-2-pyridinyl]propan-1-ol
CID 103939384

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The IUPAC name of 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol (CID 112586571) is 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol is CCC(O)c1ccc(Sc2nc(C)ns2)cn1.
What is the InChIKey of 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
The InChIKey is PRVWAQCDOYIXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-10(15)9-5-4-8(6-12-9)16-11-13-7(2)14-17-11/h4-6,10,15H,3H2,1-2H3.
What are the key properties of 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol?
1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol has a molecular weight of 267.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-pyridinyl]propan-1-ol is sourced from PubChem (CID 112586571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).