2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole

C20H13N3S — CID 16663207

IUPAC2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3cccc4ncccc34)nc2)cs1
InChIInChI=1S/C20H13N3S/c1-14-23-16(13-24-14)9-7-15-8-10-20(22-12-15)17-4-2-6-19-18(17)5-3-11-21-19/h2-6,8,10-13H,1H3
InChIKeyVOLHTWWMRRFTCQ-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.46
Rot. Bonds1

About 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole

2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole (PubChem CID 16663207) has the molecular formula C20H13N3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole
PubChem CID16663207
Molecular FormulaC20H13N3S
Molecular Weight327.41 g/mol
Exact Mass327.08
IUPAC Name2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3cccc4ncccc34)nc2)cs1
InChIInChI=1S/C20H13N3S/c1-14-23-16(13-24-14)9-7-15-8-10-20(22-12-15)17-4-2-6-19-18(17)5-3-11-21-19/h2-6,8,10-13H,1H3
InChIKeyVOLHTWWMRRFTCQ-UHFFFAOYSA-N
XLogP4.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-Phenyl-5-(2-methylthiazol-4ylethynyl)pyridine
CID 44392990
3-(3-Thienyl)quinoline
CID 10242258
4-Pyridin-2-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 9796486
5,7-Dimethyl-3-thiophen-3-yl-quinoline
CID 10060170
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-2-yl)thiazole
CID 11546121
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-3-yl)thiazole
CID 11633028
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyrazin-2-yl)thiazole
CID 11668827
(R)-4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-2-(pyridin-4-yl)thiazole
CID 11690171
5-(2-Methyl-thiazol-4-ylethynyl)-[3,3'''']bipyridinyl
CID 44392969
4-Pyridin-3-yl-5-quinolin-4-yl-thiazol-2-ylamine
CID 11231979
2-(Pyridin-3-yl)-5-(2-methylthiazol-4ylethynyl)pyridine
CID 10039170
2-(4-Fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine
CID 11500296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole (CID 16663207) is 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole is Cc1nc(C#Cc2ccc(-c3cccc4ncccc34)nc2)cs1.
What is the InChIKey of 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole?
The InChIKey is VOLHTWWMRRFTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3S/c1-14-23-16(13-24-14)9-7-15-8-10-20(22-12-15)17-4-2-6-19-18(17)5-3-11-21-19/h2-6,8,10-13H,1H3.
What are the key properties of 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole?
2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-quinolin-5-yl-3-pyridinyl)ethynyl]-1,3-thiazole is sourced from PubChem (CID 16663207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).