N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide

C19H14Cl2N4O3S — CID 59712054

IUPACN-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CNC(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14Cl2N4O3S/c20-11-5-7-12(8-6-11)25(18(28)13-3-1-2-4-14(13)21)19-24-15(10-29-19)17(27)23-9-16(22)26/h1-8,10H,9H2,(H2,22,26)(H,23,27)
InChIKeyVOJXWDYRQBPNNO-UHFFFAOYSA-N
MW449.32 g/mol
LogP3.64
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide (PubChem CID 59712054) has the molecular formula C19H14Cl2N4O3S and a molecular weight of 449.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide
PubChem CID59712054
Molecular FormulaC19H14Cl2N4O3S
Molecular Weight449.32 g/mol
Exact Mass448.02
IUPAC NameN-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CNC(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H14Cl2N4O3S/c20-11-5-7-12(8-6-11)25(18(28)13-3-1-2-4-14(13)21)19-24-15(10-29-19)17(27)23-9-16(22)26/h1-8,10H,9H2,(H2,22,26)(H,23,27)
InChIKeyVOJXWDYRQBPNNO-UHFFFAOYSA-N
XLogP3.64
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide (CID 59712054) is N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide is NC(=O)CNC(=O)c1csc(N(C(=O)c2ccccc2Cl)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide?
The InChIKey is VOJXWDYRQBPNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3S/c20-11-5-7-12(8-6-11)25(18(28)13-3-1-2-4-14(13)21)19-24-15(10-29-19)17(27)23-9-16(22)26/h1-8,10H,9H2,(H2,22,26)(H,23,27).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide has a molecular weight of 449.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(4-chloro-N-(2-chlorobenzoyl)anilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59712054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).