[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate

C18H18N4O3S — CID 71082905

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCc3nccs3)c2)c(C)[nH]c1=O
InChIInChI=1S/C18H18N4O3S/c1-3-12-7-15(11(2)22-17(12)23)13-6-14(9-19-8-13)25-18(24)21-10-16-20-4-5-26-16/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWNRQJEGUDANUQF-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.05
Rot. Bonds5

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate (PubChem CID 71082905) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate
PubChem CID71082905
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCc3nccs3)c2)c(C)[nH]c1=O
InChIInChI=1S/C18H18N4O3S/c1-3-12-7-15(11(2)22-17(12)23)13-6-14(9-19-8-13)25-18(24)21-10-16-20-4-5-26-16/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWNRQJEGUDANUQF-UHFFFAOYSA-N
XLogP3.05
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate (CID 71082905) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate is CCc1cc(-c2cncc(OC(=O)NCc3nccs3)c2)c(C)[nH]c1=O.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate?
The InChIKey is WNRQJEGUDANUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-12-7-15(11(2)22-17(12)23)13-6-14(9-19-8-13)25-18(24)21-10-16-20-4-5-26-16/h4-9H,3,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate has a molecular weight of 370.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(1,3-thiazol-2-ylmethyl)carbamate is sourced from PubChem (CID 71082905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).