methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate

C19H19NO3S — CID 57324673

IUPACmethyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate
SMILESCOC=C(C(=O)OC)C1=CN(c2ccc3cc(C)ccc3c2)CS1
InChIInChI=1S/C19H19NO3S/c1-13-4-5-15-9-16(7-6-14(15)8-13)20-10-18(24-12-20)17(11-22-2)19(21)23-3/h4-11H,12H2,1-3H3
InChIKeySPQUFNROXCELKI-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.20
Rot. Bonds4

About methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate

methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate (PubChem CID 57324673) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate
PubChem CID57324673
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Namemethyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate
SMILESCOC=C(C(=O)OC)C1=CN(c2ccc3cc(C)ccc3c2)CS1
InChIInChI=1S/C19H19NO3S/c1-13-4-5-15-9-16(7-6-14(15)8-13)20-10-18(24-12-20)17(11-22-2)19(21)23-3/h4-11H,12H2,1-3H3
InChIKeySPQUFNROXCELKI-UHFFFAOYSA-N
XLogP4.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate?
The IUPAC name of methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate (CID 57324673) is methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate?
The canonical SMILES for methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate is COC=C(C(=O)OC)C1=CN(c2ccc3cc(C)ccc3c2)CS1.
What is the InChIKey of methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate?
The InChIKey is SPQUFNROXCELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-13-4-5-15-9-16(7-6-14(15)8-13)20-10-18(24-12-20)17(11-22-2)19(21)23-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate?
methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate has a molecular weight of 341.43 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[3-(6-methylnaphthalen-2-yl)-2H-1,3-thiazol-5-yl]prop-2-enoate is sourced from PubChem (CID 57324673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).