2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide

C16H22N4O2S2 — CID 119880788

IUPAC2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H22N4O2S2/c1-19(16(21)12-11-24-15(9-17)18-12)10-13(14-3-2-8-23-14)20-4-6-22-7-5-20/h2-3,8,11,13H,4-7,9-10,17H2,1H3
InChIKeyPKMQNTKRWSPHPK-UHFFFAOYSA-N
MW366.51 g/mol
LogP1.81
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 119880788) has the molecular formula C16H22N4O2S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
PubChem CID119880788
Molecular FormulaC16H22N4O2S2
Molecular Weight366.51 g/mol
Exact Mass366.12
IUPAC Name2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
SMILESCN(CC(c1cccs1)N1CCOCC1)C(=O)c1csc(CN)n1
InChIInChI=1S/C16H22N4O2S2/c1-19(16(21)12-11-24-15(9-17)18-12)10-13(14-3-2-8-23-14)20-4-6-22-7-5-20/h2-3,8,11,13H,4-7,9-10,17H2,1H3
InChIKeyPKMQNTKRWSPHPK-UHFFFAOYSA-N
XLogP1.81
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-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

2-(aminomethyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 119829208
2-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide;dihydrochloride
CID 119880785
2-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119727054
1-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880763
N-methyl-4-(methylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 119880751
3-amino-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119880755
2-(aminomethyl)-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119875168
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
2-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 79378500
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-2-morpholin-4-yl-2-thiophen-2-ylethanamine;dihydrochloride
CID 120752871
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71863736
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111964725

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide (CID 119880788) is 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide is CN(CC(c1cccs1)N1CCOCC1)C(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PKMQNTKRWSPHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S2/c1-19(16(21)12-11-24-15(9-17)18-12)10-13(14-3-2-8-23-14)20-4-6-22-7-5-20/h2-3,8,11,13H,4-7,9-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119880788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).