2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide

C20H25ClN4O2S — CID 8909777

IUPAC2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN(C)CC(=O)NC2CC2)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN4O2S/c1-12-7-13(2)19(17(21)8-12)25(14(3)26)20-23-16(11-28-20)9-24(4)10-18(27)22-15-5-6-15/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,22,27)
InChIKeyAETWLDZNXJODBW-UHFFFAOYSA-N
MW420.97 g/mol
LogP3.81
Rot. Bonds7

About 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide

2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide (PubChem CID 8909777) has the molecular formula C20H25ClN4O2S and a molecular weight of 420.97 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
PubChem CID8909777
Molecular FormulaC20H25ClN4O2S
Molecular Weight420.97 g/mol
Exact Mass420.14
IUPAC Name2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
SMILESCC(=O)N(c1nc(CN(C)CC(=O)NC2CC2)cs1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C20H25ClN4O2S/c1-12-7-13(2)19(17(21)8-12)25(14(3)26)20-23-16(11-28-20)9-24(4)10-18(27)22-15-5-6-15/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,22,27)
InChIKeyAETWLDZNXJODBW-UHFFFAOYSA-N
XLogP3.81
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide with MolForge

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Related Compounds

2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide
CID 9053665
N-cyclopropyl-2-[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 86919880
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(2-methylpropylcarbamothioylamino)methyl]-1,3-thiazol-2-yl]acetamide
CID 8669153
[2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 8910126
(3R)-1-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl]piperidine-3-carboxamide
CID 8543369
[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 4-methylbenzoate
CID 55313658
N-(2-chloro-4,6-dimethylphenyl)-N-[4-[(5-phenyltetrazol-2-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 38846667
N-cyclopropyl-2-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909955
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934
[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-(methylamino)benzoate
CID 16596147
2-[[2-(N-acetyl-2,4,6-trimethylanilino)-1,3-thiazol-4-yl]methylamino]-N-methylacetamide
CID 8772344

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide (CID 8909777) is 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide is CC(=O)N(c1nc(CN(C)CC(=O)NC2CC2)cs1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is AETWLDZNXJODBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2S/c1-12-7-13(2)19(17(21)8-12)25(14(3)26)20-23-16(11-28-20)9-24(4)10-18(27)22-15-5-6-15/h7-8,11,15H,5-6,9-10H2,1-4H3,(H,22,27).
What are the key properties of 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide?
2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 420.97 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2-chloro-4,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 8909777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).