N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

C16H11Cl2N3OS — CID 28861353

IUPACN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-3-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-1-4-11(19)5-2-9/h1-8H,19H2,(H,20,21,22)
InChIKeySYOLLRNOMRLRIP-UHFFFAOYSA-N
MW364.26 g/mol
LogP4.95
Rot. Bonds3

About N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (PubChem CID 28861353) has the molecular formula C16H11Cl2N3OS and a molecular weight of 364.26 g/mol. Its IUPAC name is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
PubChem CID28861353
Molecular FormulaC16H11Cl2N3OS
Molecular Weight364.26 g/mol
Exact Mass363.00
IUPAC NameN-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
SMILESNc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C16H11Cl2N3OS/c17-12-6-3-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-1-4-11(19)5-2-9/h1-8H,19H2,(H,20,21,22)
InChIKeySYOLLRNOMRLRIP-UHFFFAOYSA-N
XLogP4.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.26
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
4-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 2314903
2-N,5-N-bis[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5121730
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 1358652
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide (CID 28861353) is N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
The InChIKey is SYOLLRNOMRLRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3OS/c17-12-6-3-10(7-13(12)18)15(22)21-16-20-14(8-23-16)9-1-4-11(19)5-2-9/h1-8H,19H2,(H,20,21,22).
What are the key properties of N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide?
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide has a molecular weight of 364.26 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide is sourced from PubChem (CID 28861353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).