ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate

C17H16N2O2S — CID 118732497

IUPACethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
InChIInChI=1S/C17H16N2O2S/c1-3-21-16(20)15-11(2)18-17(22-15)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyUSSOVWRHDNFMDO-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.53
Rot. Bonds4

About ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate (PubChem CID 118732497) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate
PubChem CID118732497
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Nameethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C
InChIInChI=1S/C17H16N2O2S/c1-3-21-16(20)15-11(2)18-17(22-15)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3,(H,18,19)
InChIKeyUSSOVWRHDNFMDO-UHFFFAOYSA-N
XLogP4.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate (CID 118732497) is ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is USSOVWRHDNFMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-21-16(20)15-11(2)18-17(22-15)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-10H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(naphthalen-2-ylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 118732497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).