3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C20H26N4O2S — CID 84564574

IUPAC3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ncc(C)s2)C2CC2)c1
InChIInChI=1S/C20H26N4O2S/c1-13-4-5-14(2)17(10-13)22-19(26)12-24(16-6-7-16)9-8-18(25)23-20-21-11-15(3)27-20/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,26)(H,21,23,25)
InChIKeyDHODMVLSXLZLOX-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.50
Rot. Bonds8

About 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 84564574) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID84564574
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ncc(C)s2)C2CC2)c1
InChIInChI=1S/C20H26N4O2S/c1-13-4-5-14(2)17(10-13)22-19(26)12-24(16-6-7-16)9-8-18(25)23-20-21-11-15(3)27-20/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,26)(H,21,23,25)
InChIKeyDHODMVLSXLZLOX-UHFFFAOYSA-N
XLogP3.50
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,5-dimethylphenyl)propanamide
CID 84567734
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 84564566
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-fluoro-2-pyridinyl)propanamide
CID 84568189
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 84568147
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2,3-dimethylphenyl)propanamide
CID 84567732
N-(4-chloro-2-pyridinyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84568196
5-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoylamino]benzene-1,3-dicarboxylic acid
CID 84567726
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 84567767
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(2-propan-2-ylphenyl)propanamide
CID 84567801
N-(2-chloro-4,6-dimethylphenyl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567729
2-[3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanoyl-methylamino]acetic acid
CID 84562924
N-benzyl-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84566542

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 84564574) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CN(CCC(=O)Nc2ncc(C)s2)C2CC2)c1.
What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DHODMVLSXLZLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-13-4-5-14(2)17(10-13)22-19(26)12-24(16-6-7-16)9-8-18(25)23-20-21-11-15(3)27-20/h4-5,10-11,16H,6-9,12H2,1-3H3,(H,22,26)(H,21,23,25).
What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 84564574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).