2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid

C15H15BrN2O4S — CID 120518141

IUPAC2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESCOCc1nc(C)c(C(=O)NC(C(=O)O)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H15BrN2O4S/c1-8-13(23-11(17-8)7-22-2)14(19)18-12(15(20)21)9-3-5-10(16)6-4-9/h3-6,12H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZAKFLJJILMJMIP-UHFFFAOYSA-N
MW399.27 g/mol
LogP2.92
Rot. Bonds6

About 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid

2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid (PubChem CID 120518141) has the molecular formula C15H15BrN2O4S and a molecular weight of 399.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
PubChem CID120518141
Molecular FormulaC15H15BrN2O4S
Molecular Weight399.27 g/mol
Exact Mass397.99
IUPAC Name2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid
SMILESCOCc1nc(C)c(C(=O)NC(C(=O)O)c2ccc(Br)cc2)s1
InChIInChI=1S/C15H15BrN2O4S/c1-8-13(23-11(17-8)7-22-2)14(19)18-12(15(20)21)9-3-5-10(16)6-4-9/h3-6,12H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyZAKFLJJILMJMIP-UHFFFAOYSA-N
XLogP2.92
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
3-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]butanoic acid
CID 120522680
2-(methoxymethyl)-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 110374872
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-2-phenylacetic acid
CID 43240578
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
N-(4-bromophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28935655
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 51962865
4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
N-[(S)-(2-chlorophenyl)-cyanomethyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 97245984
2-[[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-4-methoxybutanoic acid
CID 120703125
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374810
2-(methoxymethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110374885

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid (CID 120518141) is 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid is COCc1nc(C)c(C(=O)NC(C(=O)O)c2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid?
The InChIKey is ZAKFLJJILMJMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O4S/c1-8-13(23-11(17-8)7-22-2)14(19)18-12(15(20)21)9-3-5-10(16)6-4-9/h3-6,12H,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid?
2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid has a molecular weight of 399.27 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 120518141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).