(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

C20H15N3O2S — CID 66632863

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2S/c1-13-17(10-15-8-5-9-21-18(15)22-13)20(24)25-11-16-12-26-19(23-16)14-6-3-2-4-7-14/h2-10,12H,11H2,1H3
InChIKeyMPCNBSMBORBFII-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.42
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 66632863) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID66632863
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
SMILESCc1nc2ncccc2cc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2S/c1-13-17(10-15-8-5-9-21-18(15)22-13)20(24)25-11-16-12-26-19(23-16)14-6-3-2-4-7-14/h2-10,12H,11H2,1H3
InChIKeyMPCNBSMBORBFII-UHFFFAOYSA-N
XLogP4.42
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl anthracene-9-carboxylate
CID 7786495
(2-phenyl-1,3-thiazol-4-yl)methyl pyridine-4-carboxylate
CID 7478095
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 25313151
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(difluoromethoxy)benzoate
CID 55327358
(2-phenyl-1,3-thiazol-4-yl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 2482716
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3907572
[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl pyridine-2-carboxylate
CID 7776653
(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2387635
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
(2-phenyl-1,3-thiazol-4-yl)methyl 3,4-difluorobenzoate
CID 30305825

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate (CID 66632863) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is Cc1nc2ncccc2cc1C(=O)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is MPCNBSMBORBFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-13-17(10-15-8-5-9-21-18(15)22-13)20(24)25-11-16-12-26-19(23-16)14-6-3-2-4-7-14/h2-10,12H,11H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 361.43 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 66632863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).