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

C15H10N2S — CID 116867149

IUPAC2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2cccc3ccccc23)c(C#N)s1
InChIInChI=1S/C15H10N2S/c1-10-17-15(14(9-16)18-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,1H3
InChIKeyYXZZXTSKLKQWDA-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.14
Rot. Bonds1

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

2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile (PubChem CID 116867149) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
PubChem CID116867149
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
SMILESCc1nc(-c2cccc3ccccc23)c(C#N)s1
InChIInChI=1S/C15H10N2S/c1-10-17-15(14(9-16)18-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,1H3
InChIKeyYXZZXTSKLKQWDA-UHFFFAOYSA-N
XLogP4.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile
CID 116867246
4-(2-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867130
4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867055
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
CID 102235920
4-(4-butan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbonitrile
CID 116867072
potassium;5-chloro-4-naphthalen-1-yl-1,3-thiazol-2-amine;methanethiolate
CID 159653077
2,6-dimethyl-3-(2-methylphenyl)-5-naphthalen-1-ylpyrazine
CID 145390440
1-methyl-3-naphthalen-1-yl-2-benzothiophene
CID 122577332
2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile (CID 116867149) is 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile is Cc1nc(-c2cccc3ccccc23)c(C#N)s1.
What is the InChIKey of 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
The InChIKey is YXZZXTSKLKQWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c1-10-17-15(14(9-16)18-10)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile?
2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile has a molecular weight of 250.33 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 116867149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).