methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate

C15H11NO2S — CID 53271143

IUPACmethyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1cccc2ccccc12
InChIInChI=1S/C15H11NO2S/c1-18-15(17)13-14(19-9-16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeySARCBVTTWCWIEF-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.75
Rot. Bonds2

About methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate

methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate (PubChem CID 53271143) has the molecular formula C15H11NO2S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
PubChem CID53271143
Molecular FormulaC15H11NO2S
Molecular Weight269.33 g/mol
Exact Mass269.05
IUPAC Namemethyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1-c1cccc2ccccc12
InChIInChI=1S/C15H11NO2S/c1-18-15(17)13-14(19-9-16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3
InChIKeySARCBVTTWCWIEF-UHFFFAOYSA-N
XLogP3.75
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate (CID 53271143) is methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1-c1cccc2ccccc12.
What is the InChIKey of methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
The InChIKey is SARCBVTTWCWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S/c1-18-15(17)13-14(19-9-16-13)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3.
What are the key properties of methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate?
methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-naphthalen-1-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 53271143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).