(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

C24H24N2O3S — CID 175870936

IUPAC(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCCONC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C24H24N2O3S/c1-2-29-25-23(28)20-14-30-24-22(16-10-11-16)18(13-21(27)26(20)24)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13,16,20H,2,10-12,14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyGXFAREBPMKAAOZ-FQEVSTJZSA-N
MW420.53 g/mol
LogP4.18
Rot. Bonds6

About (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide

(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (PubChem CID 175870936) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
PubChem CID175870936
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
SMILESCCONC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21
InChIInChI=1S/C24H24N2O3S/c1-2-29-25-23(28)20-14-30-24-22(16-10-11-16)18(13-21(27)26(20)24)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13,16,20H,2,10-12,14H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyGXFAREBPMKAAOZ-FQEVSTJZSA-N
XLogP4.18
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 144746410
(3R)-8-cyclopropyl-N-(3-ethylphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 86345112
(3R)-8-cyclopropyl-N-(3-methoxyphenyl)-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 86344926
(3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-pyridin-3-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 86344556
8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 123701508
8-cyclopropyl-7-[(4-ethoxynaphthalen-1-yl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 130298132
(3R)-8-acetamido-7-(naphthalen-1-ylmethyl)-5-oxo-N-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide
CID 121344871
methyl N-[7-(naphthalen-1-ylmethyl)-5-oxo-3-(phenylcarbamoyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]carbamate
CID 155521987
methyl (2R,3R)-8-cyclopropyl-2-methyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 16732067
(3R)-8-cyclopropyl-7-[(3-methylphenyl)methyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid
CID 131989075
(3S)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]oxazolo[3,2-a]pyridine-3-carboxylic acid
CID 25107980
lithium (3R)-8-cyclopropyl-6-[(hexylamino)methyl]-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylate
CID 23697661

Frequently Asked Questions

What is the IUPAC name of (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The IUPAC name of (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide (CID 175870936) is (3R)-8-cyclopropyl-N-ethoxy-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)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The canonical SMILES for (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is CCONC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21.
What is the InChIKey of (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
The InChIKey is GXFAREBPMKAAOZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24N2O3S/c1-2-29-25-23(28)20-14-30-24-22(16-10-11-16)18(13-21(27)26(20)24)12-17-8-5-7-15-6-3-4-9-19(15)17/h3-9,13,16,20H,2,10-12,14H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide?
(3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-cyclopropyl-N-ethoxy-7-(naphthalen-1-ylmethyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 175870936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).