ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate

C17H13NO3S — CID 154708842

IUPACethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NO3S/c1-2-21-17(20)14-16(22-10-18-14)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3
InChIKeyZYIFOJAVVCMBMX-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.70
Rot. Bonds4

About ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate

ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate (PubChem CID 154708842) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate
PubChem CID154708842
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Nameethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NO3S/c1-2-21-17(20)14-16(22-10-18-14)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3
InChIKeyZYIFOJAVVCMBMX-UHFFFAOYSA-N
XLogP3.70
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(4-bromobenzoyl)-1,3-thiazole-4-carboxylate
CID 154708962
ethyl 5-benzamido-1,3-thiazole-4-carboxylate
CID 102425607
ethyl 3-(4-methoxybenzoyl)quinoline-2-carboxylate
CID 176908691
ethane;N-ethylnaphthalene-2-carboxamide;ethyl naphthalene-2-carboxylate
CID 144557460
dinaphthalen-2-ylmethanone
CID 10945915
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
ethyl 7-methoxy-1-(naphthalene-2-carbonyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 4188647
ethyl 2-[[naphthalene-2-carbonyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7350511
ethyl 5-[[(1S)-1-phenylethyl]amino]-1,3-thiazole-4-carboxylate
CID 129370103
ethyl 2-(naphthalene-2-carbonylamino)-4-(3,4,5-trimethylphenyl)thiophene-3-carboxylate
CID 4078761
propanoyl naphthalene-2-carboxylate
CID 118192395

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate (CID 154708842) is ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1C(=O)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate?
The InChIKey is ZYIFOJAVVCMBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-2-21-17(20)14-16(22-10-18-14)15(19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2H2,1H3.
What are the key properties of ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(naphthalene-2-carbonyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 154708842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).