4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide

C12H16N4O2S — CID 116671879

IUPAC4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCN(C)C(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C12H16N4O2S/c1-3-4-15(2)11(17)9-10(13)14-12(19-9)16-5-7-18-8-6-16/h1H,4-8,13H2,2H3
InChIKeyJGONKHHEPSGEPA-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.27
Rot. Bonds3

About 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide

4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (PubChem CID 116671879) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
PubChem CID116671879
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
SMILESC#CCN(C)C(=O)c1sc(N2CCOCC2)nc1N
InChIInChI=1S/C12H16N4O2S/c1-3-4-15(2)11(17)9-10(13)14-12(19-9)16-5-7-18-8-6-16/h1H,4-8,13H2,2H3
InChIKeyJGONKHHEPSGEPA-UHFFFAOYSA-N
XLogP0.27
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-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-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282
4-amino-2-(3-aminopiperidin-1-yl)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671883
4-amino-N-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878
4-amino-N-methyl-N-[3-(methylamino)propyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116671563
4-amino-N-ethyl-N-prop-2-ynyl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116671896
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
4-amino-2-(dimethylamino)-N-methyl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671884
4-amino-N-(2-amino-2-oxoethyl)-2-(azepan-1-yl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669853
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide (CID 116671879) is 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is C#CCN(C)C(=O)c1sc(N2CCOCC2)nc1N.
What is the InChIKey of 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
The InChIKey is JGONKHHEPSGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-4-15(2)11(17)9-10(13)14-12(19-9)16-5-7-18-8-6-16/h1H,4-8,13H2,2H3.
What are the key properties of 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide?
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116671879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).