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

C17H12Cl3N3OS — CID 42764618

IUPAC2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H12Cl3N3OS/c18-8-16(24)21-11-3-1-10(2-4-11)15-9-25-17(23-15)22-12-5-6-13(19)14(20)7-12/h1-7,9H,8H2,(H,21,24)(H,22,23)
InChIKeyAZZVSRGWLINMTJ-UHFFFAOYSA-N
MW412.73 g/mol
LogP6.04
Rot. Bonds5

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

2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 42764618) has the molecular formula C17H12Cl3N3OS and a molecular weight of 412.73 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID42764618
Molecular FormulaC17H12Cl3N3OS
Molecular Weight412.73 g/mol
Exact Mass410.98
IUPAC Name2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H12Cl3N3OS/c18-8-16(24)21-11-3-1-10(2-4-11)15-9-25-17(23-15)22-12-5-6-13(19)14(20)7-12/h1-7,9H,8H2,(H,21,24)(H,22,23)
InChIKeyAZZVSRGWLINMTJ-UHFFFAOYSA-N
XLogP6.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.73
LogP ≤ 56.04
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-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748184
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
1-(3,4-dichlorophenyl)-3-[4-(4-iodophenyl)-1,3-thiazol-2-yl]urea
CID 121080352
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-[2-(3-chloroanilino)-1,3-thiazol-4-yl]phenyl]heptanamide
CID 3553749
N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
CID 142697324
1-(3,4-dichlorophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 978585
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]butanamide
CID 935726
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-(3-chloro-4-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 2214320

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide (CID 42764618) is 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide is O=C(CCl)Nc1ccc(-c2csc(Nc3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is AZZVSRGWLINMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl3N3OS/c18-8-16(24)21-11-3-1-10(2-4-11)15-9-25-17(23-15)22-12-5-6-13(19)14(20)7-12/h1-7,9H,8H2,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide?
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 412.73 g/mol, XLogP of 6.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 42764618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).