(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C27H25N3O3S — CID 121334207

IUPAC(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCOc1c(Cc2cccc3ccccc23)c(N)c(=O)n2c1SC[C@H]2C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C27H25N3O3S/c1-16-10-12-19(13-11-16)29-25(31)22-15-34-27-24(33-2)21(23(28)26(32)30(22)27)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13,22H,14-15,28H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyNZIOSLWXMCNASY-QFIPXVFZSA-N
MW471.58 g/mol
LogP4.78
Rot. Bonds5

About (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 121334207) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID121334207
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC Name(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCOc1c(Cc2cccc3ccccc23)c(N)c(=O)n2c1SC[C@H]2C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C27H25N3O3S/c1-16-10-12-19(13-11-16)29-25(31)22-15-34-27-24(33-2)21(23(28)26(32)30(22)27)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13,22H,14-15,28H2,1-2H3,(H,29,31)/t22-/m0/s1
InChIKeyNZIOSLWXMCNASY-QFIPXVFZSA-N
XLogP4.78
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 121334207) is (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is COc1c(Cc2cccc3ccccc23)c(N)c(=O)n2c1SC[C@H]2C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is NZIOSLWXMCNASY-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-16-10-12-19(13-11-16)29-25(31)22-15-34-27-24(33-2)21(23(28)26(32)30(22)27)14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13,22H,14-15,28H2,1-2H3,(H,29,31)/t22-/m0/s1.
What are the key properties of (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-amino-8-methoxy-N-(4-methylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 121334207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).