4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

C12H15N5O2S — CID 116671420

IUPAC4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NC)nc2N)cn1
InChIInChI=1S/C12H15N5O2S/c1-3-19-8-5-4-7(6-15-8)16-11(18)9-10(13)17-12(14-2)20-9/h4-6H,3,13H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyCXHHEDLFMWFVKT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.81
Rot. Bonds5

About 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116671420) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
PubChem CID116671420
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2sc(NC)nc2N)cn1
InChIInChI=1S/C12H15N5O2S/c1-3-19-8-5-4-7(6-15-8)16-11(18)9-10(13)17-12(14-2)20-9/h4-6H,3,13H2,1-2H3,(H,14,17)(H,16,18)
InChIKeyCXHHEDLFMWFVKT-UHFFFAOYSA-N
XLogP1.81
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide 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

4-amino-N-(6-methoxy-3-pyridinyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116668346
4-amino-N-(4-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116669239
4-amino-2-(methylamino)-N-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 116671061
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116664072
4-amino-N-(3-bromo-4-fluorophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116673325
4-amino-N-(4-fluoro-3-methoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 114841246
4-amino-2-(methylamino)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-5-carboxamide
CID 116665575
3-amino-2-chloro-N-(6-ethoxy-3-pyridinyl)benzamide
CID 115930617
4-amino-2-(dimethylamino)-N-(4-ethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 116667999
4-amino-2-(methylamino)-N-(1-propan-2-ylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 116665663
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
2-[(6-ethoxy-3-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697306

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide (CID 116671420) is 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2sc(NC)nc2N)cn1.
What is the InChIKey of 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is CXHHEDLFMWFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-19-8-5-4-7(6-15-8)16-11(18)9-10(13)17-12(14-2)20-9/h4-6H,3,13H2,1-2H3,(H,14,17)(H,16,18).
What are the key properties of 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-ethoxy-3-pyridinyl)-2-(methylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).