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

C20H19ClN4O2S — CID 26841633

IUPAC2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-2-13-3-7-15(8-4-13)22-18(26)11-17-12-28-20(24-17)25-19(27)23-16-9-5-14(21)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNLVQZSPMZLDHMZ-UHFFFAOYSA-N
MW414.92 g/mol
LogP5.18
Rot. Bonds6

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

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 26841633) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
PubChem CID26841633
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C20H19ClN4O2S/c1-2-13-3-7-15(8-4-13)22-18(26)11-17-12-28-20(24-17)25-19(27)23-16-9-5-14(21)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyNLVQZSPMZLDHMZ-UHFFFAOYSA-N
XLogP5.18
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.92
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-sulfamoylphenyl)acetamide
CID 41211564
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567512
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 41228555
N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567599
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide (CID 26841633) is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is NLVQZSPMZLDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-2-13-3-7-15(8-4-13)22-18(26)11-17-12-28-20(24-17)25-19(27)23-16-9-5-14(21)6-10-16/h3-10,12H,2,11H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide?
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 414.92 g/mol, XLogP of 5.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 26841633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).