2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

C19H16BrN3O3S — CID 24524419

IUPAC2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2OCC(N)=O)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-19(27-11)23-18(25)14-4-2-3-5-15(14)26-10-16(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyBNGQRVIDZDJWDC-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide

2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (PubChem CID 24524419) has the molecular formula C19H16BrN3O3S and a molecular weight of 446.33 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
PubChem CID24524419
Molecular FormulaC19H16BrN3O3S
Molecular Weight446.33 g/mol
Exact Mass445.01
IUPAC Name2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
SMILESCc1sc(NC(=O)c2ccccc2OCC(N)=O)nc1-c1ccc(Br)cc1
InChIInChI=1S/C19H16BrN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-19(27-11)23-18(25)14-4-2-3-5-15(14)26-10-16(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23,25)
InChIKeyBNGQRVIDZDJWDC-UHFFFAOYSA-N
XLogP4.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19217365
2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 55514567
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 1347169
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 19226508
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 19217968
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,4-dibromophenoxy)acetamide
CID 19217332
2-(2-methoxyphenoxy)-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19172973
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 19195112
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 112768089

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide (CID 24524419) is 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is Cc1sc(NC(=O)c2ccccc2OCC(N)=O)nc1-c1ccc(Br)cc1.
What is the InChIKey of 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
The InChIKey is BNGQRVIDZDJWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3S/c1-11-17(12-6-8-13(20)9-7-12)22-19(27-11)23-18(25)14-4-2-3-5-15(14)26-10-16(21)24/h2-9H,10H2,1H3,(H2,21,24)(H,22,23,25).
What are the key properties of 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide?
2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide has a molecular weight of 446.33 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethoxy)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 24524419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).