(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol

C9H9N3OS — CID 105096821

IUPAC(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccc(C(O)c2cnsn2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7(4-10-6)9(13)8-5-11-14-12-8/h2-5,9,13H,1H3
InChIKeyXYDSVCSTXXMIDK-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.32
Rot. Bonds2

About (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol

(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol (PubChem CID 105096821) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol
PubChem CID105096821
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol
SMILESCc1ccc(C(O)c2cnsn2)cn1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7(4-10-6)9(13)8-5-11-14-12-8/h2-5,9,13H,1H3
InChIKeyXYDSVCSTXXMIDK-UHFFFAOYSA-N
XLogP1.32
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105146258
(6-methyl-3-pyridinyl)-thiophen-3-ylmethanol
CID 63155454
(4-propylphenyl)-(1,2,5-thiadiazol-3-yl)methanol
CID 105095204
(S)-(6-methyl-3-pyridinyl)-phenylmethanol
CID 122230267
(6-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105096831
(6-methyl-3-pyridinyl)-(4-phenylphenyl)methanol
CID 63895075
(4-methoxyphenyl)-(6-methyl-3-pyridinyl)methanol
CID 63155903
(2-methyl-4-pyridinyl)-(6-methyl-3-pyridinyl)methanol
CID 106756194
(5-iodothiophen-3-yl)-(6-methyl-3-pyridinyl)methanol
CID 115796818
(2,6-difluorophenyl)-(6-methyl-3-pyridinyl)methanol
CID 63893537
quinolin-8-yl(1,2,5-thiadiazol-3-yl)methanol
CID 105118765
(6-methyl-3-pyridinyl)-(2-methylsulfanylphenyl)methanol
CID 115796738

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol?
The IUPAC name of (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol (CID 105096821) is (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol.
What is the SMILES notation for (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol?
The canonical SMILES for (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol is Cc1ccc(C(O)c2cnsn2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol?
The InChIKey is XYDSVCSTXXMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-2-3-7(4-10-6)9(13)8-5-11-14-12-8/h2-5,9,13H,1H3.
What are the key properties of (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol?
(6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol has a molecular weight of 207.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanol is sourced from PubChem (CID 105096821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).