2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile

C14H9N3S2 — CID 63884121

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
SMILESCc1csc(Sc2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C14H9N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,1H3
InChIKeyCAZDLGYHDQOPCV-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.02
Rot. Bonds2

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile (PubChem CID 63884121) has the molecular formula C14H9N3S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
PubChem CID63884121
Molecular FormulaC14H9N3S2
Molecular Weight283.38 g/mol
Exact Mass283.02
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile
SMILESCc1csc(Sc2cc(C#N)c3ccccc3n2)n1
InChIInChI=1S/C14H9N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,1H3
InChIKeyCAZDLGYHDQOPCV-UHFFFAOYSA-N
XLogP4.02
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile (CID 63884121) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile is Cc1csc(Sc2cc(C#N)c3ccccc3n2)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
The InChIKey is CAZDLGYHDQOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S2/c1-9-8-18-14(16-9)19-13-6-10(7-15)11-4-2-3-5-12(11)17-13/h2-6,8H,1H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile has a molecular weight of 283.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]quinoline-4-carbonitrile is sourced from PubChem (CID 63884121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).