N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

C23H18BrN3OS — CID 152683928

IUPACN-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(-c2ccc(Br)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C23H18BrN3OS/c1-14-11-18(16-3-5-19(24)6-4-16)12-15(2)21(14)20-13-29-23(26-20)27-22(28)17-7-9-25-10-8-17/h3-13H,1-2H3,(H,26,27,28)
InChIKeyZODIDUWSMOLPBC-UHFFFAOYSA-N
MW464.39 g/mol
LogP6.50
Rot. Bonds4

About N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 152683928) has the molecular formula C23H18BrN3OS and a molecular weight of 464.39 g/mol. Its IUPAC name is N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID152683928
Molecular FormulaC23H18BrN3OS
Molecular Weight464.39 g/mol
Exact Mass463.04
IUPAC NameN-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1cc(-c2ccc(Br)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1
InChIInChI=1S/C23H18BrN3OS/c1-14-11-18(16-3-5-19(24)6-4-16)12-15(2)21(14)20-13-29-23(26-20)27-22(28)17-7-9-25-10-8-17/h3-13H,1-2H3,(H,26,27,28)
InChIKeyZODIDUWSMOLPBC-UHFFFAOYSA-N
XLogP6.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.39
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[4-(4-hydroxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 86690827
N-[4-[4-(3,5-dimethylphenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442428
N-[4-(4-ethoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901625
4-phenyl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4220609
N-[4-[4-(3-methoxypropoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442458
tert-butyl N-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]phenyl]carbamate
CID 118013446
4-bromo-N-[4-[2-[(4-bromobenzoyl)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3408651
N-[4-(3-methoxy-4,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442481
tert-butyl 2-[3,5-dimethyl-4-[2-(pyridine-4-carbonylamino)-1,3-thiazol-4-yl]anilino]acetate
CID 118006052
N-[4-[2,6-dimethyl-4-(2-methylidene-5-oxopyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 129189982
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 896408
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-4-bromobenzamide
CID 28861346

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 152683928) is N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1cc(-c2ccc(Br)cc2)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1.
What is the InChIKey of N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is ZODIDUWSMOLPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3OS/c1-14-11-18(16-3-5-19(24)6-4-16)12-15(2)21(14)20-13-29-23(26-20)27-22(28)17-7-9-25-10-8-17/h3-13H,1-2H3,(H,26,27,28).
What are the key properties of N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 464.39 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-bromophenyl)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 152683928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).