4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C19H16N2S — CID 16663141

IUPAC4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3c(C)cccc3C)nc2)cs1
InChIInChI=1S/C19H16N2S/c1-13-5-4-6-14(2)19(13)18-10-8-16(11-20-18)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3
InChIKeyRRCUZIKJDXITAD-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.53
Rot. Bonds1

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

4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16663141) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16663141
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(-c3c(C)cccc3C)nc2)cs1
InChIInChI=1S/C19H16N2S/c1-13-5-4-6-14(2)19(13)18-10-8-16(11-20-18)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3
InChIKeyRRCUZIKJDXITAD-UHFFFAOYSA-N
XLogP4.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 1889993
CID 1889993
CID 119368
CID 119368
CID 738483
CID 738483
CID 16662948
CID 16662948
CID 9794218
CID 9794218
CID 25012898
CID 25012898
CID 1201554
CID 1201554
CID 701015
CID 701015
CID 11608287
CID 11608287
CID 44392990
CID 44392990
CID 600616
CID 600616
CID 2806768
CID 2806768

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16663141) is 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2ccc(-c3c(C)cccc3C)nc2)cs1.
What is the InChIKey of 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is RRCUZIKJDXITAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-13-5-4-6-14(2)19(13)18-10-8-16(11-20-18)7-9-17-12-22-15(3)21-17/h4-6,8,10-12H,1-3H3.
What are the key properties of 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 304.42 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(2,6-dimethylphenyl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16663141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).