N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide

C19H18BrN3OS — CID 7454421

IUPACN-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1
InChIInChI=1S/C19H18BrN3OS/c1-13-4-2-7-16(8-13)21-12-18(24)23-19-22-11-17(25-19)10-14-5-3-6-15(20)9-14/h2-9,11,21H,10,12H2,1H3,(H,22,23,24)
InChIKeyGQCKUUNRCOCWSI-UHFFFAOYSA-N
MW416.34 g/mol
LogP4.86
Rot. Bonds6

About N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide

N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide (PubChem CID 7454421) has the molecular formula C19H18BrN3OS and a molecular weight of 416.34 g/mol. Its IUPAC name is N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
PubChem CID7454421
Molecular FormulaC19H18BrN3OS
Molecular Weight416.34 g/mol
Exact Mass415.04
IUPAC NameN-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1
InChIInChI=1S/C19H18BrN3OS/c1-13-4-2-7-16(8-13)21-12-18(24)23-19-22-11-17(25-19)10-14-5-3-6-15(20)9-14/h2-9,11,21H,10,12H2,1H3,(H,22,23,24)
InChIKeyGQCKUUNRCOCWSI-UHFFFAOYSA-N
XLogP4.86
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
4-bromo-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 2130333
4-amino-N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxybutanamide;hydrochloride
CID 120590420
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methoxyanilino)acetamide
CID 2239682
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 17408346
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-propan-2-ylanilino)acetamide
CID 7454424
2-[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30136834

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide (CID 7454421) is N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1.
What is the InChIKey of N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?
The InChIKey is GQCKUUNRCOCWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3OS/c1-13-4-2-7-16(8-13)21-12-18(24)23-19-22-11-17(25-19)10-14-5-3-6-15(20)9-14/h2-9,11,21H,10,12H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide?
N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide has a molecular weight of 416.34 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 7454421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).