N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H22N4O2S2 — CID 55371992

IUPACN-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C20H22N4O2S2/c1-23(2)16-8-6-14(7-9-16)12-24(3)18(25)11-15-13-28-20(21-15)22-19(26)17-5-4-10-27-17/h4-10,13H,11-12H2,1-3H3,(H,21,22,26)
InChIKeyMEJVPIXQDFQNGC-UHFFFAOYSA-N
MW414.56 g/mol
LogP3.72
Rot. Bonds7

About N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 55371992) has the molecular formula C20H22N4O2S2 and a molecular weight of 414.56 g/mol. Its IUPAC name is N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID55371992
Molecular FormulaC20H22N4O2S2
Molecular Weight414.56 g/mol
Exact Mass414.12
IUPAC NameN-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C20H22N4O2S2/c1-23(2)16-8-6-14(7-9-16)12-24(3)18(25)11-15-13-28-20(21-15)22-19(26)17-5-4-10-27-17/h4-10,13H,11-12H2,1-3H3,(H,21,22,26)
InChIKeyMEJVPIXQDFQNGC-UHFFFAOYSA-N
XLogP3.72
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-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

N-[4-[2-[(4-cyanophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 39859559
N-[4-[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 55369025
N-[4-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 38035313
N-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 134017616
N-[4-[2-(N-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51191452
N-[4-[2-[(3,4-dichlorophenyl)methyl-propan-2-ylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 52701016
N-[4-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 18163531
N-[4-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119444365
N-[4-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 26927547
N-[4-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119554477
N-[4-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229017
N-[4-[2-oxo-2-[piperidin-4-yl(propyl)amino]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119826140

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 55371992) is N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is MEJVPIXQDFQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S2/c1-23(2)16-8-6-14(7-9-16)12-24(3)18(25)11-15-13-28-20(21-15)22-19(26)17-5-4-10-27-17/h4-10,13H,11-12H2,1-3H3,(H,21,22,26).
What are the key properties of N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 414.56 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55371992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).