N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide

C19H17Cl2N3OS — CID 1187810

IUPACN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C19H17Cl2N3OS/c1-12-2-6-15(7-3-12)22-11-18(25)24-19-23-10-16(26-19)8-13-4-5-14(20)9-17(13)21/h2-7,9-10,22H,8,11H2,1H3,(H,23,24,25)
InChIKeyGPQSYPRKADVDJW-UHFFFAOYSA-N
MW406.34 g/mol
LogP5.40
Rot. Bonds6

About N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide (PubChem CID 1187810) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
PubChem CID1187810
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC NameN-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1
InChIInChI=1S/C19H17Cl2N3OS/c1-12-2-6-15(7-3-12)22-11-18(25)24-19-23-10-16(26-19)8-13-4-5-14(20)9-17(13)21/h2-7,9-10,22H,8,11H2,1H3,(H,23,24,25)
InChIKeyGPQSYPRKADVDJW-UHFFFAOYSA-N
XLogP5.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 18836170
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 24628804
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-propan-2-ylanilino)acetamide
CID 2239758
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
2-(4-fluoroanilino)-N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2239908
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 24628775
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
2-(4-butylanilino)-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2240008
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 23939607

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide (CID 1187810) is N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide is Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide?
The InChIKey is GPQSYPRKADVDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-12-2-6-15(7-3-12)22-11-18(25)24-19-23-10-16(26-19)8-13-4-5-14(20)9-17(13)21/h2-7,9-10,22H,8,11H2,1H3,(H,23,24,25).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide?
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide has a molecular weight of 406.34 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylanilino)acetamide is sourced from PubChem (CID 1187810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).