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

C19H16BrClN2OS — CID 3857136

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H16BrClN2OS/c1-12-7-13(2)9-16(8-12)23(18(24)10-21)19-22-17(11-25-19)14-3-5-15(20)6-4-14/h3-9,11H,10H2,1-2H3
InChIKeyYOJJLCDFNMBGOE-UHFFFAOYSA-N
MW435.77 g/mol
LogP6.09
Rot. Bonds4

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

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide (PubChem CID 3857136) has the molecular formula C19H16BrClN2OS and a molecular weight of 435.77 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide
PubChem CID3857136
Molecular FormulaC19H16BrClN2OS
Molecular Weight435.77 g/mol
Exact Mass433.99
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide
SMILESCc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(Br)cc3)cs2)c1
InChIInChI=1S/C19H16BrClN2OS/c1-12-7-13(2)9-16(8-12)23(18(24)10-21)19-22-17(11-25-19)14-3-5-15(20)6-4-14/h3-9,11H,10H2,1-2H3
InChIKeyYOJJLCDFNMBGOE-UHFFFAOYSA-N
XLogP6.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.77
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide (CID 3857136) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide is Cc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(Br)cc3)cs2)c1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is YOJJLCDFNMBGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN2OS/c1-12-7-13(2)9-16(8-12)23(18(24)10-21)19-22-17(11-25-19)14-3-5-15(20)6-4-14/h3-9,11H,10H2,1-2H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide has a molecular weight of 435.77 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-chloro-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 3857136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).