4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol

C14H16N4OS3 — CID 161333590

IUPAC4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1CO.Cc1nnsc1CSc1ccccc1
InChIInChI=1S/C10H10N2S2.C4H6N2OS/c1-8-10(14-12-11-8)7-13-9-5-3-2-4-6-9;1-3-4(2-7)8-6-5-3/h2-6H,7H2,1H3;7H,2H2,1H3
InChIKeyVLSVGUBLWAWFPZ-UHFFFAOYSA-N
MW352.51 g/mol
LogP3.48
Rot. Bonds4

About 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol

4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol (PubChem CID 161333590) has the molecular formula C14H16N4OS3 and a molecular weight of 352.51 g/mol. Its IUPAC name is 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol.

Molecular Properties

Compound Name4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol
PubChem CID161333590
Molecular FormulaC14H16N4OS3
Molecular Weight352.51 g/mol
Exact Mass352.05
IUPAC Name4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol
SMILESCc1nnsc1CO.Cc1nnsc1CSc1ccccc1
InChIInChI=1S/C10H10N2S2.C4H6N2OS/c1-8-10(14-12-11-8)7-13-9-5-3-2-4-6-9;1-3-4(2-7)8-6-5-3/h2-6H,7H2,1H3;7H,2H2,1H3
InChIKeyVLSVGUBLWAWFPZ-UHFFFAOYSA-N
XLogP3.48
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.51
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-Methylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079900
(4-Ethylthiadiazol-5-yl)-thiophen-2-ylmethanol
CID 105079958
1-(4-Propylthiadiazol-5-yl)-3-thiophen-2-ylpropan-1-ol
CID 105099371

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol?
The IUPAC name of 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol (CID 161333590) is 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol.
What is the SMILES notation for 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol?
The canonical SMILES for 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol is Cc1nnsc1CO.Cc1nnsc1CSc1ccccc1.
What is the InChIKey of 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol?
The InChIKey is VLSVGUBLWAWFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2.C4H6N2OS/c1-8-10(14-12-11-8)7-13-9-5-3-2-4-6-9;1-3-4(2-7)8-6-5-3/h2-6H,7H2,1H3;7H,2H2,1H3.
What are the key properties of 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol?
4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol has a molecular weight of 352.51 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(phenylsulfanylmethyl)thiadiazole;(4-methylthiadiazol-5-yl)methanol is sourced from PubChem (CID 161333590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).