2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide

C18H15BrN2O2S — CID 171836514

IUPAC2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(COCc2ccccc2)cc1)c1csc(Br)n1
InChIInChI=1S/C18H15BrN2O2S/c19-18-21-16(12-24-18)17(22)20-15-8-6-14(7-9-15)11-23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyHIUVYPZLBOTKGN-UHFFFAOYSA-N
MW403.30 g/mol
LogP4.87
Rot. Bonds6

About 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide

2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 171836514) has the molecular formula C18H15BrN2O2S and a molecular weight of 403.30 g/mol. Its IUPAC name is 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID171836514
Molecular FormulaC18H15BrN2O2S
Molecular Weight403.30 g/mol
Exact Mass402.00
IUPAC Name2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(COCc2ccccc2)cc1)c1csc(Br)n1
InChIInChI=1S/C18H15BrN2O2S/c19-18-21-16(12-24-18)17(22)20-15-8-6-14(7-9-15)11-23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyHIUVYPZLBOTKGN-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.30
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
CID 121232006
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875
N-(4-fluorophenyl)-2-(1-hydroxy-2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 71728802
N-(4-acetylphenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550613
2-bromo-N-pyridin-4-yl-1,3-thiazole-4-carboxamide;ethyl 2-bromo-1,3-thiazole-4-carboxylate
CID 158501248
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[(3-chlorophenyl)-hydroxymethyl]-N-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 155561650
2-bromo-N-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 164646931
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
2-[(4-methoxyphenoxy)methyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 24712411

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 171836514) is 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(COCc2ccccc2)cc1)c1csc(Br)n1.
What is the InChIKey of 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HIUVYPZLBOTKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2S/c19-18-21-16(12-24-18)17(22)20-15-8-6-14(7-9-15)11-23-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide?
2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 403.30 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(phenylmethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171836514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).