(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol

C11H14N4OS2 — CID 83129114

IUPAC(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C11H14N4OS2/c1-7(16)9-5-4-8(6-12-9)17-11-14-13-10(18-11)15(2)3/h4-7,16H,1-3H3/t7-/m0/s1
InChIKeyPJLHAUUHXJDVFJ-ZETCQYMHSA-N
MW282.39 g/mol
LogP2.20
Rot. Bonds4

About (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol

(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol (PubChem CID 83129114) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol
PubChem CID83129114
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol
SMILESC[C@H](O)c1ccc(Sc2nnc(N(C)C)s2)cn1
InChIInChI=1S/C11H14N4OS2/c1-7(16)9-5-4-8(6-12-9)17-11-14-13-10(18-11)15(2)3/h4-7,16H,1-3H3/t7-/m0/s1
InChIKeyPJLHAUUHXJDVFJ-ZETCQYMHSA-N
XLogP2.20
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol?
The IUPAC name of (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol (CID 83129114) is (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol.
What is the SMILES notation for (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol?
The canonical SMILES for (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol is C[C@H](O)c1ccc(Sc2nnc(N(C)C)s2)cn1.
What is the InChIKey of (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol?
The InChIKey is PJLHAUUHXJDVFJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-7(16)9-5-4-8(6-12-9)17-11-14-13-10(18-11)15(2)3/h4-7,16H,1-3H3/t7-/m0/s1.
What are the key properties of (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol?
(1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol has a molecular weight of 282.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-pyridinyl]ethanol is sourced from PubChem (CID 83129114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).