2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile

C15H10N2S — CID 24708724

IUPAC2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C15H10N2S/c16-9-8-15-17-14(10-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2
InChIKeyUZYWYSSCIZGPQL-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.03
Rot. Bonds2

About 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 24708724) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
PubChem CID24708724
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(-c2cccc3ccccc23)cs1
InChIInChI=1S/C15H10N2S/c16-9-8-15-17-14(10-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2
InChIKeyUZYWYSSCIZGPQL-UHFFFAOYSA-N
XLogP4.03
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanenitrile
CID 103097257
sodium 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetate
CID 75414423
2-[4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82300637
2-[4-(5-methyl-1-phenylpyrazol-4-yl)-1,3-thiazol-2-yl]acetonitrile
CID 139235210
2-[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]acetonitrile
CID 82967172
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
2-[4-[3-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetonitrile
CID 43145525
2-(2-benzothiophen-1-yl)acetonitrile
CID 141154303
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)butan-2-amine
CID 61337854
2-methyl-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propan-1-amine
CID 103097106

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile (CID 24708724) is 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile is N#CCc1nc(-c2cccc3ccccc23)cs1.
What is the InChIKey of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is UZYWYSSCIZGPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c16-9-8-15-17-14(10-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-7,10H,8H2.
What are the key properties of 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile?
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 250.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 24708724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).