5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile

C8H10N2S3 — CID 604841

IUPAC5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCCSc1nsc(SC)c1C#N
InChIInChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3
InChIKeyLGKPRMWLZJJIDT-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.24
Rot. Bonds4

About 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile

5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile (PubChem CID 604841) has the molecular formula C8H10N2S3 and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile
PubChem CID604841
Molecular FormulaC8H10N2S3
Molecular Weight230.38 g/mol
Exact Mass230.00
IUPAC Name5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile
SMILESCCCSc1nsc(SC)c1C#N
InChIInChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3
InChIKeyLGKPRMWLZJJIDT-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile (CID 604841) is 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile is CCCSc1nsc(SC)c1C#N.
What is the InChIKey of 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile?
The InChIKey is LGKPRMWLZJJIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S3/c1-3-4-12-7-6(5-9)8(11-2)13-10-7/h3-4H2,1-2H3.
What are the key properties of 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile?
5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile has a molecular weight of 230.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-3-propylsulfanyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 604841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).