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

C20H20ClN5O2S — CID 18567623

IUPAC2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN5O2S/c1-26(2)17-8-6-14(7-9-17)22-18(27)11-16-12-29-20(24-16)25-19(28)23-15-5-3-4-13(21)10-15/h3-10,12H,11H2,1-2H3,(H,22,27)(H2,23,24,25,28)
InChIKeyJJJVHTFYVHQINA-UHFFFAOYSA-N
MW429.93 g/mol
LogP4.69
Rot. Bonds6

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

2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 18567623) has the molecular formula C20H20ClN5O2S and a molecular weight of 429.93 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID18567623
Molecular FormulaC20H20ClN5O2S
Molecular Weight429.93 g/mol
Exact Mass429.10
IUPAC Name2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCN(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C20H20ClN5O2S/c1-26(2)17-8-6-14(7-9-17)22-18(27)11-16-12-29-20(24-16)25-19(28)23-15-5-3-4-13(21)10-15/h3-10,12H,11H2,1-2H3,(H,22,27)(H2,23,24,25,28)
InChIKeyJJJVHTFYVHQINA-UHFFFAOYSA-N
XLogP4.69
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 54.69
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-(4-methoxyphenyl)acetamide
CID 26841689
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 18567631
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
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-ethylphenyl)acetamide
CID 26841633
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
3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3-methylphenyl)propanamide
CID 27454022

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide (CID 18567623) is 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide is CN(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is JJJVHTFYVHQINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2S/c1-26(2)17-8-6-14(7-9-17)22-18(27)11-16-12-29-20(24-16)25-19(28)23-15-5-3-4-13(21)10-15/h3-10,12H,11H2,1-2H3,(H,22,27)(H2,23,24,25,28).
What are the key properties of 2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide?
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 429.93 g/mol, XLogP of 4.69, 6 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-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 18567623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).