2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one

C18H16N4O3S2 — CID 18989580

IUPAC2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(C2SC(N)=NC2=O)cn1
InChIInChI=1S/C18H16N4O3S2/c1-10-12(21-17(25-10)13-3-2-8-26-13)6-7-24-14-5-4-11(9-20-14)15-16(23)22-18(19)27-15/h2-5,8-9,15H,6-7H2,1H3,(H2,19,22,23)
InChIKeyCXWOTWAFEAVKQH-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.36
Rot. Bonds6

About 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one

2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one (PubChem CID 18989580) has the molecular formula C18H16N4O3S2 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one
PubChem CID18989580
Molecular FormulaC18H16N4O3S2
Molecular Weight400.49 g/mol
Exact Mass400.07
IUPAC Name2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one
SMILESCc1oc(-c2cccs2)nc1CCOc1ccc(C2SC(N)=NC2=O)cn1
InChIInChI=1S/C18H16N4O3S2/c1-10-12(21-17(25-10)13-3-2-8-26-13)6-7-24-14-5-4-11(9-20-14)15-16(23)22-18(19)27-15/h2-5,8-9,15H,6-7H2,1H3,(H2,19,22,23)
InChIKeyCXWOTWAFEAVKQH-UHFFFAOYSA-N
XLogP3.36
TPSA103.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl pyridine-3-carboxylate
CID 13583384
2-({[5-Methyl-2-(3-methylthiophen-2-YL)-1,3-oxazol-4-YL]methyl}sulfanyl)-N-[(pyridin-3-YL)methyl]acetamide
CID 20860341
1-pyridin-3-yl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]methanamine
CID 56662487
6-(4-fluorophenoxy)-N'-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methoxy]pyridine-3-carboximidamide
CID 71857459
5-[2-[6-(2-Methoxyethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-oxazole
CID 122148571
5-methyl-4-[[(3R)-3-pyridin-4-ylpyrrolidin-1-yl]methyl]-2-thiophen-3-yl-1,3-oxazole
CID 164634655
4-(4-Fluorophenyl)-2-(4-methylthiophen-2-yl)-5-pyridin-4-yl-1,3-oxazole
CID 17852493
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide
CID 40296115
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 55692797
N-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 56294131
N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 56301767
6-(4-fluorophenoxy)-N'-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]pyridine-3-carboximidamide
CID 56359130

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one (CID 18989580) is 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one is Cc1oc(-c2cccs2)nc1CCOc1ccc(C2SC(N)=NC2=O)cn1.
What is the InChIKey of 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one?
The InChIKey is CXWOTWAFEAVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S2/c1-10-12(21-17(25-10)13-3-2-8-26-13)6-7-24-14-5-4-11(9-20-14)15-16(23)22-18(19)27-15/h2-5,8-9,15H,6-7H2,1H3,(H2,19,22,23).
What are the key properties of 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one?
2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one has a molecular weight of 400.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-1,3-thiazol-4-one is sourced from PubChem (CID 18989580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).