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

C15H12N2OS — CID 116887744

IUPAC4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc3ccccc23)sc1C(N)=O
InChIInChI=1S/C15H12N2OS/c1-9-13(14(16)18)19-15(17-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,16,18)
InChIKeyFZGYWMZAOLFMOZ-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.37
Rot. Bonds2

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

4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116887744) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116887744
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cccc3ccccc23)sc1C(N)=O
InChIInChI=1S/C15H12N2OS/c1-9-13(14(16)18)19-15(17-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,16,18)
InChIKeyFZGYWMZAOLFMOZ-UHFFFAOYSA-N
XLogP3.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide (CID 116887744) is 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccc3ccccc23)sc1C(N)=O.
What is the InChIKey of 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is FZGYWMZAOLFMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-9-13(14(16)18)19-15(17-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3,(H2,16,18).
What are the key properties of 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 268.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116887744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).