N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

C20H18ClN5O4S — CID 16948902

IUPACN-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN5O4S/c1-11(27)22-14-6-7-17(30-2)15(9-14)24-18(28)16-10-31-20(25-16)26-19(29)23-13-5-3-4-12(21)8-13/h3-10H,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)
InChIKeyWFWFNLLPBDOHOW-UHFFFAOYSA-N
MW459.92 g/mol
LogP4.66
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (PubChem CID 16948902) has the molecular formula C20H18ClN5O4S and a molecular weight of 459.92 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
PubChem CID16948902
Molecular FormulaC20H18ClN5O4S
Molecular Weight459.92 g/mol
Exact Mass459.08
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN5O4S/c1-11(27)22-14-6-7-17(30-2)15(9-14)24-18(28)16-10-31-20(25-16)26-19(29)23-13-5-3-4-12(21)8-13/h3-10H,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29)
InChIKeyWFWFNLLPBDOHOW-UHFFFAOYSA-N
XLogP4.66
TPSA121.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.92
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948825
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16821159
N-(3-chloro-2-methylphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948852
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
2-[(4-chlorophenyl)carbamoylamino]-N-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16948687
N-(2-methoxyphenyl)-2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxamide
CID 16948199
N-(5-acetamido-2-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 42092835
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 18567627
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
ethyl 4-[[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 16948832
N-(5-acetamido-2-methoxyphenyl)-2-(3,4-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 60597278

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide (CID 16948902) is N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1csc(NC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
The InChIKey is WFWFNLLPBDOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4S/c1-11(27)22-14-6-7-17(30-2)15(9-14)24-18(28)16-10-31-20(25-16)26-19(29)23-13-5-3-4-12(21)8-13/h3-10H,1-2H3,(H,22,27)(H,24,28)(H2,23,25,26,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide has a molecular weight of 459.92 g/mol, XLogP of 4.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16948902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).