2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide

C21H23Cl2N5O2S — CID 24658727

IUPAC2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCc1nc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nccn1C
InChIInChI=1S/C21H23Cl2N5O2S/c1-11(2)9-16(26-19(29)14-6-5-13(22)10-15(14)23)20(30)27-21-25-12(3)17(31-21)18-24-7-8-28(18)4/h5-8,10-11,16H,9H2,1-4H3,(H,26,29)(H,25,27,30)
InChIKeyRXQCPKBPXFFJRI-UHFFFAOYSA-N
MW480.42 g/mol
LogP4.94
Rot. Bonds7

About 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide (PubChem CID 24658727) has the molecular formula C21H23Cl2N5O2S and a molecular weight of 480.42 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide
PubChem CID24658727
Molecular FormulaC21H23Cl2N5O2S
Molecular Weight480.42 g/mol
Exact Mass479.09
IUPAC Name2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide
SMILESCc1nc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nccn1C
InChIInChI=1S/C21H23Cl2N5O2S/c1-11(2)9-16(26-19(29)14-6-5-13(22)10-15(14)23)20(30)27-21-25-12(3)17(31-21)18-24-7-8-28(18)4/h5-8,10-11,16H,9H2,1-4H3,(H,26,29)(H,25,27,30)
InChIKeyRXQCPKBPXFFJRI-UHFFFAOYSA-N
XLogP4.94
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-N-[4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]benzamide
CID 18205011
2,4-dichloro-N-[1-[[6-(dimethylamino)-3-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 46699574
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-(2-hydroxyethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 78783255
3-ethoxy-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(2-methylpropoxy)benzamide
CID 24658706
N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 43002570
N-[1-(4-acetamido-3-chloroanilino)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 46521328
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
2,4-dichloro-N-[(2S)-1-(3-hydroxypropylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 98001708
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[(2S)-4-methyl-1-oxo-1-[4-(tetrazol-1-yl)anilino]pentan-2-yl]benzamide
CID 51873691
2,4-dichloro-N-[1-(3-methoxyanilino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 43001585

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide (CID 24658727) is 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide is Cc1nc(NC(=O)C(CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nccn1C.
What is the InChIKey of 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide?
The InChIKey is RXQCPKBPXFFJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2S/c1-11(2)9-16(26-19(29)14-6-5-13(22)10-15(14)23)20(30)27-21-25-12(3)17(31-21)18-24-7-8-28(18)4/h5-8,10-11,16H,9H2,1-4H3,(H,26,29)(H,25,27,30).
What are the key properties of 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide has a molecular weight of 480.42 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-methyl-1-[[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]amino]-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 24658727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).