2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide

C23H26ClN5O2S — CID 18567631

IUPAC2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1
InChIInChI=1S/C23H26ClN5O2S/c1-4-29(5-2)19-9-10-20(15(3)11-19)27-21(30)13-18-14-32-23(26-18)28-22(31)25-17-8-6-7-16(24)12-17/h6-12,14H,4-5,13H2,1-3H3,(H,27,30)(H2,25,26,28,31)
InChIKeyLJMSBJHNPSZIGF-UHFFFAOYSA-N
MW472.01 g/mol
LogP5.78
Rot. Bonds8

About 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide (PubChem CID 18567631) has the molecular formula C23H26ClN5O2S and a molecular weight of 472.01 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
PubChem CID18567631
Molecular FormulaC23H26ClN5O2S
Molecular Weight472.01 g/mol
Exact Mass471.15
IUPAC Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1
InChIInChI=1S/C23H26ClN5O2S/c1-4-29(5-2)19-9-10-20(15(3)11-19)27-21(30)13-18-14-32-23(26-18)28-22(31)25-17-8-6-7-16(24)12-17/h6-12,14H,4-5,13H2,1-3H3,(H,27,30)(H2,25,26,28,31)
InChIKeyLJMSBJHNPSZIGF-UHFFFAOYSA-N
XLogP5.78
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.01
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623
N-[4-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160013
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
N-(4-bromo-2-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211289
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-(2-methoxy-4-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567570
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
N-[3-[[4-(diethylamino)-2-methylphenyl]carbamoylamino]phenyl]acetamide
CID 108884218

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide (CID 18567631) is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide is CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
The InChIKey is LJMSBJHNPSZIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O2S/c1-4-29(5-2)19-9-10-20(15(3)11-19)27-21(30)13-18-14-32-23(26-18)28-22(31)25-17-8-6-7-16(24)12-17/h6-12,14H,4-5,13H2,1-3H3,(H,27,30)(H2,25,26,28,31).
What are the key properties of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide?
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide has a molecular weight of 472.01 g/mol, XLogP of 5.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide is sourced from PubChem (CID 18567631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).