N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

C14H13BrN2O3S — CID 82162119

IUPACN-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)CBr)s1
InChIInChI=1S/C14H13BrN2O3S/c1-8-12(10(18)7-15)21-14(16-8)17-13(19)9-5-3-4-6-11(9)20-2/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyKZNZBVVAEQLFGV-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.29
Rot. Bonds5

About N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide

N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 82162119) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID82162119
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC NameN-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(C)c(C(=O)CBr)s1
InChIInChI=1S/C14H13BrN2O3S/c1-8-12(10(18)7-15)21-14(16-8)17-13(19)9-5-3-4-6-11(9)20-2/h3-6H,7H2,1-2H3,(H,16,17,19)
InChIKeyKZNZBVVAEQLFGV-UHFFFAOYSA-N
XLogP3.29
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 5139354
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 19214365
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 82162119) is N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(C)c(C(=O)CBr)s1.
What is the InChIKey of N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is KZNZBVVAEQLFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-8-12(10(18)7-15)21-14(16-8)17-13(19)9-5-3-4-6-11(9)20-2/h3-6H,7H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 369.24 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 82162119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).