4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile

C14H9N3S — CID 21275463

IUPAC4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile
SMILESCc1nc(C#N)sc1-c1ccnc2ccccc12
InChIInChI=1S/C14H9N3S/c1-9-14(18-13(8-15)17-9)11-6-7-16-12-5-3-2-4-10(11)12/h2-7H,1H3
InChIKeyHWMHPUXRNVBNMW-UHFFFAOYSA-N
MW251.31 g/mol
LogP3.54
Rot. Bonds1

About 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile

4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile (PubChem CID 21275463) has the molecular formula C14H9N3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile
PubChem CID21275463
Molecular FormulaC14H9N3S
Molecular Weight251.31 g/mol
Exact Mass251.05
IUPAC Name4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile
SMILESCc1nc(C#N)sc1-c1ccnc2ccccc12
InChIInChI=1S/C14H9N3S/c1-9-14(18-13(8-15)17-9)11-6-7-16-12-5-3-2-4-10(11)12/h2-7H,1H3
InChIKeyHWMHPUXRNVBNMW-UHFFFAOYSA-N
XLogP3.54
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile (CID 21275463) is 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile is Cc1nc(C#N)sc1-c1ccnc2ccccc12.
What is the InChIKey of 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile?
The InChIKey is HWMHPUXRNVBNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3S/c1-9-14(18-13(8-15)17-9)11-6-7-16-12-5-3-2-4-10(11)12/h2-7H,1H3.
What are the key properties of 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile?
4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile has a molecular weight of 251.31 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-quinolin-4-yl-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 21275463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).