3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile

C10H14N2S3 — CID 612236

IUPAC3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile
SMILESCCCSc1nsc(SCCC)c1C#N
InChIInChI=1S/C10H14N2S3/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h3-6H2,1-2H3
InChIKeyURPCQPQAIIEQCL-UHFFFAOYSA-N
MW258.44 g/mol
LogP4.02
Rot. Bonds6

About 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile

3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile (PubChem CID 612236) has the molecular formula C10H14N2S3 and a molecular weight of 258.44 g/mol. Its IUPAC name is 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile
PubChem CID612236
Molecular FormulaC10H14N2S3
Molecular Weight258.44 g/mol
Exact Mass258.03
IUPAC Name3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile
SMILESCCCSc1nsc(SCCC)c1C#N
InChIInChI=1S/C10H14N2S3/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h3-6H2,1-2H3
InChIKeyURPCQPQAIIEQCL-UHFFFAOYSA-N
XLogP4.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile (CID 612236) is 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile is CCCSc1nsc(SCCC)c1C#N.
What is the InChIKey of 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is URPCQPQAIIEQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S3/c1-3-5-13-9-8(7-11)10(15-12-9)14-6-4-2/h3-6H2,1-2H3.
What are the key properties of 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile?
3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 258.44 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(propylsulfanyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 612236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).