N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C19H19N3O2S2 — CID 27760643

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H19N3O2S2/c1-12-4-3-5-13(2)18(12)22-17(24)9-20-16(23)8-15-11-26-19(21-15)14-6-7-25-10-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyWWLPOEMGPVDRNW-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.79
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 27760643) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID27760643
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)Cc1csc(-c2ccsc2)n1
InChIInChI=1S/C19H19N3O2S2/c1-12-4-3-5-13(2)18(12)22-17(24)9-20-16(23)8-15-11-26-19(21-15)14-6-7-25-10-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyWWLPOEMGPVDRNW-UHFFFAOYSA-N
XLogP3.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18114604
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606036
N-(3-methyl-2-pyridinyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 35033079
benzyl 2-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]acetate
CID 32982193
N-prop-2-enyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9399778
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(4-bromo-3-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 8926939
(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 2-acetamido-3-methylbenzoate
CID 16625749
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977
N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
methyl 3-methyl-4-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 36934193
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 27760643) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)Cc1csc(-c2ccsc2)n1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WWLPOEMGPVDRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-12-4-3-5-13(2)18(12)22-17(24)9-20-16(23)8-15-11-26-19(21-15)14-6-7-25-10-14/h3-7,10-11H,8-9H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 27760643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).