2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile

C15H11N3S — CID 114755503

IUPAC2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cc(-c2nc(CC#N)cs2)nc2ccccc12
InChIInChI=1S/C15H11N3S/c1-10-8-14(15-17-11(6-7-16)9-19-15)18-13-5-3-2-4-12(10)13/h2-5,8-9H,6H2,1H3
InChIKeyBMTXDOYHAFXALV-UHFFFAOYSA-N
MW265.34 g/mol
LogP3.73
Rot. Bonds2

About 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 114755503) has the molecular formula C15H11N3S and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID114755503
Molecular FormulaC15H11N3S
Molecular Weight265.34 g/mol
Exact Mass265.07
IUPAC Name2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cc(-c2nc(CC#N)cs2)nc2ccccc12
InChIInChI=1S/C15H11N3S/c1-10-8-14(15-17-11(6-7-16)9-19-15)18-13-5-3-2-4-12(10)13/h2-5,8-9H,6H2,1H3
InChIKeyBMTXDOYHAFXALV-UHFFFAOYSA-N
XLogP3.73
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 107511797
4-(3-chloropropyl)-2-(4-methylquinolin-2-yl)-1,3-thiazole
CID 114754541
2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
CID 63556167
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 116889988
2-[2-(3-methylthiophen-2-yl)-1,3-thiazol-4-yl]acetonitrile
CID 116890031
2-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
CID 107504553
4-[(4-methylquinolin-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2367855
2-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]acetonitrile
CID 82380573
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
CID 103375229
2-(2-pyrimidin-4-yl-1,3-thiazol-4-yl)acetonitrile
CID 63989817
2-[2-(2-methyl-5-nitrophenyl)-1,3-thiazol-4-yl]acetonitrile
CID 55155288
[4-ethyl-2-(4-methylquinolin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114755452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile (CID 114755503) is 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile is Cc1cc(-c2nc(CC#N)cs2)nc2ccccc12.
What is the InChIKey of 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is BMTXDOYHAFXALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S/c1-10-8-14(15-17-11(6-7-16)9-19-15)18-13-5-3-2-4-12(10)13/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 265.34 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylquinolin-2-yl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 114755503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).