N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

C15H16BrClN2OS — CID 43836582

IUPACN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)sc1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H16BrClN2OS/c1-8(2)14(20)19-15-18-9(3)13(21-15)7-10-4-5-11(16)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,19,20)
InChIKeyJQHWWQQJNGNUAJ-UHFFFAOYSA-N
MW387.73 g/mol
LogP5.05
Rot. Bonds4

About N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 43836582) has the molecular formula C15H16BrClN2OS and a molecular weight of 387.73 g/mol. Its IUPAC name is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID43836582
Molecular FormulaC15H16BrClN2OS
Molecular Weight387.73 g/mol
Exact Mass385.99
IUPAC NameN-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1nc(NC(=O)C(C)C)sc1Cc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H16BrClN2OS/c1-8(2)14(20)19-15-18-9(3)13(21-15)7-10-4-5-11(16)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,19,20)
InChIKeyJQHWWQQJNGNUAJ-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.73
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 43836600
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 43836798
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43836942
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)benzamide
CID 43837019
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-(4-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 43837307
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43836834
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]propanamide
CID 43836394
N-[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062821
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119736981
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 47062848

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 43836582) is N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1nc(NC(=O)C(C)C)sc1Cc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is JQHWWQQJNGNUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2OS/c1-8(2)14(20)19-15-18-9(3)13(21-15)7-10-4-5-11(16)12(17)6-10/h4-6,8H,7H2,1-3H3,(H,18,19,20).
What are the key properties of N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 387.73 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromo-3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 43836582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).