N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide

C18H14N4O3S2 — CID 10222518

IUPACN-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(=O)[nH]o2)cc1)c1ccc2[nH]c(=S)sc2n1
InChIInChI=1S/C18H14N4O3S2/c1-2-22(14-8-7-12-16(20-14)27-18(26)19-12)17(24)11-5-3-10(4-6-11)13-9-15(23)21-25-13/h3-9H,2H2,1H3,(H,19,26)(H,21,23)
InChIKeyYJOFRAHXLKGNKX-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.97
Rot. Bonds4

About N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide

N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 10222518) has the molecular formula C18H14N4O3S2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID10222518
Molecular FormulaC18H14N4O3S2
Molecular Weight398.47 g/mol
Exact Mass398.05
IUPAC NameN-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCCN(C(=O)c1ccc(-c2cc(=O)[nH]o2)cc1)c1ccc2[nH]c(=S)sc2n1
InChIInChI=1S/C18H14N4O3S2/c1-2-22(14-8-7-12-16(20-14)27-18(26)19-12)17(24)11-5-3-10(4-6-11)13-9-15(23)21-25-13/h3-9H,2H2,1H3,(H,19,26)(H,21,23)
InChIKeyYJOFRAHXLKGNKX-UHFFFAOYSA-N
XLogP3.97
TPSA94.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide (CID 10222518) is N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide is CCN(C(=O)c1ccc(-c2cc(=O)[nH]o2)cc1)c1ccc2[nH]c(=S)sc2n1.
What is the InChIKey of N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is YJOFRAHXLKGNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S2/c1-2-22(14-8-7-12-16(20-14)27-18(26)19-12)17(24)11-5-3-10(4-6-11)13-9-15(23)21-25-13/h3-9H,2H2,1H3,(H,19,26)(H,21,23).
What are the key properties of N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide?
N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 398.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-oxo-1,2-oxazol-5-yl)-N-(2-sulfanylidene-1H-[1,3]thiazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 10222518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).