[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol

C7H6N2S3 — CID 123894095

IUPAC[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol
SMILESSCSc1nc2ccncc2s1
InChIInChI=1S/C7H6N2S3/c10-4-11-7-9-5-1-2-8-3-6(5)12-7/h1-3,10H,4H2
InChIKeyIFBQKJNGKJPPQK-UHFFFAOYSA-N
MW214.34 g/mol
LogP2.67
Rot. Bonds2

About [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol

[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol (PubChem CID 123894095) has the molecular formula C7H6N2S3 and a molecular weight of 214.34 g/mol. Its IUPAC name is [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol.

Molecular Properties

Compound Name[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol
PubChem CID123894095
Molecular FormulaC7H6N2S3
Molecular Weight214.34 g/mol
Exact Mass213.97
IUPAC Name[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol
SMILESSCSc1nc2ccncc2s1
InChIInChI=1S/C7H6N2S3/c10-4-11-7-9-5-1-2-8-3-6(5)12-7/h1-3,10H,4H2
InChIKeyIFBQKJNGKJPPQK-UHFFFAOYSA-N
XLogP2.67
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1,3-benzothiazol-2-ylsulfanylmethanethiol
CID 18616061
[1,3]thiazolo[5,4-c]pyridin-2-ylmethanol
CID 83383627
2-(2-methylbutan-2-yl)-[1,3]thiazolo[5,4-c]pyridine
CID 142339795
methyl [1,3]thiazolo[5,4-c]pyridine-2-carboxylate
CID 83387319
2-(4-methylphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 86182025
2-naphthalen-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 170404333
2-(4-chlorobut-2-enylsulfanyl)-1,3-benzothiazole
CID 77051449
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
2-(2-ethoxyphenyl)-[1,3]thiazolo[5,4-c]pyridine
CID 155537416
8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 12534759
[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 14252938
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)acetamide
CID 72986960

Frequently Asked Questions

What is the IUPAC name of [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol?
The IUPAC name of [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol (CID 123894095) is [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol.
What is the SMILES notation for [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol?
The canonical SMILES for [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol is SCSc1nc2ccncc2s1.
What is the InChIKey of [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol?
The InChIKey is IFBQKJNGKJPPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S3/c10-4-11-7-9-5-1-2-8-3-6(5)12-7/h1-3,10H,4H2.
What are the key properties of [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol?
[1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol has a molecular weight of 214.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]thiazolo[5,4-c]pyridin-2-ylsulfanylmethanethiol is sourced from PubChem (CID 123894095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).