4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide

C17H13BrN2O2S — CID 60564937

IUPAC4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(COc3ccccc3Br)cs2)cc1
InChIInChI=1S/C17H13BrN2O2S/c18-14-3-1-2-4-15(14)22-9-13-10-23-17(20-13)12-7-5-11(6-8-12)16(19)21/h1-8,10H,9H2,(H2,19,21)
InChIKeyOHIDYILUIHHTRA-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.25
Rot. Bonds5

About 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide

4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 60564937) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID60564937
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(COc3ccccc3Br)cs2)cc1
InChIInChI=1S/C17H13BrN2O2S/c18-14-3-1-2-4-15(14)22-9-13-10-23-17(20-13)12-7-5-11(6-8-12)16(19)21/h1-8,10H,9H2,(H2,19,21)
InChIKeyOHIDYILUIHHTRA-UHFFFAOYSA-N
XLogP4.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
4-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564841
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 2-bromobenzoate
CID 7866284
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
CID 47364833
2-[2-[4-[(2-chlorophenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 4980528
4-[(2-chloro-4-phenylphenoxy)methyl]-2-phenyl-1,3-thiazole
CID 7550705
2-[2-[[4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]phenyl]methoxy]phenyl]acetic acid
CID 68884558
N-(4-carbamoylphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17497709
[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-carbamoylbenzoate
CID 30799981
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenoxy)acetate
CID 23962440

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide (CID 60564937) is 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nc(COc3ccccc3Br)cs2)cc1.
What is the InChIKey of 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is OHIDYILUIHHTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c18-14-3-1-2-4-15(14)22-9-13-10-23-17(20-13)12-7-5-11(6-8-12)16(19)21/h1-8,10H,9H2,(H2,19,21).
What are the key properties of 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide?
4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.27 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60564937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).