2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide

C18H15BrN2OS — CID 8963701

IUPAC2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C18H15BrN2OS/c1-12-6-2-5-9-15(12)20-17(22)10-18-21-16(11-23-18)13-7-3-4-8-14(13)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyMRPHABJVXGLFBI-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.06
Rot. Bonds4

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

2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (PubChem CID 8963701) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
PubChem CID8963701
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cc1nc(-c2ccccc2Br)cs1
InChIInChI=1S/C18H15BrN2OS/c1-12-6-2-5-9-15(12)20-17(22)10-18-21-16(11-23-18)13-7-3-4-8-14(13)19/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyMRPHABJVXGLFBI-UHFFFAOYSA-N
XLogP5.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963723
2-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 17405571
N-(2-methylphenyl)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963676
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963664
2-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 9420940
N-(2-methylphenyl)-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 8963536
2-[4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963597
2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 8963602
2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962931
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 3962693
2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 2535547
N-(2,3-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484536

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide (CID 8963701) is 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cc1nc(-c2ccccc2Br)cs1.
What is the InChIKey of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is MRPHABJVXGLFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c1-12-6-2-5-9-15(12)20-17(22)10-18-21-16(11-23-18)13-7-3-4-8-14(13)19/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide?
2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 387.30 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 8963701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).