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

C18H15Cl2N3OS — CID 5027218

IUPAC2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)CCl)c2)cs1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-5-6-13(20)8-15(11)22-18-23-16(10-25-18)12-3-2-4-14(7-12)21-17(24)9-19/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGHVIRLUDERZXEK-UHFFFAOYSA-N
MW392.31 g/mol
LogP5.69
Rot. Bonds5

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

2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 5027218) has the molecular formula C18H15Cl2N3OS and a molecular weight of 392.31 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID5027218
Molecular FormulaC18H15Cl2N3OS
Molecular Weight392.31 g/mol
Exact Mass391.03
IUPAC Name2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESCc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)CCl)c2)cs1
InChIInChI=1S/C18H15Cl2N3OS/c1-11-5-6-13(20)8-15(11)22-18-23-16(10-25-18)12-3-2-4-14(7-12)21-17(24)9-19/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23)
InChIKeyGHVIRLUDERZXEK-UHFFFAOYSA-N
XLogP5.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.31
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 5135607
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
N-[3-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-ethylbenzamide
CID 3366110
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 42765483
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
4-chloro-N-[3-[3-(2-methyl-1,3-thiazol-4-yl)anilino]-3-oxopropyl]benzamide
CID 30858687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 5027218) is 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is Cc1ccc(Cl)cc1Nc1nc(-c2cccc(NC(=O)CCl)c2)cs1.
What is the InChIKey of 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is GHVIRLUDERZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3OS/c1-11-5-6-13(20)8-15(11)22-18-23-16(10-25-18)12-3-2-4-14(7-12)21-17(24)9-19/h2-8,10H,9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 392.31 g/mol, XLogP of 5.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 5027218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).