N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide

C19H17BrN2OS — CID 146094803

IUPACN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2OS/c1-12-5-3-4-6-16(12)18(23)21-13(2)19-22-17(11-24-19)14-7-9-15(20)10-8-14/h3-11,13H,1-2H3,(H,21,23)
InChIKeyJXPKFAFTCRBODJ-UHFFFAOYSA-N
MW401.33 g/mol
LogP5.37
Rot. Bonds4

About N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide

N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide (PubChem CID 146094803) has the molecular formula C19H17BrN2OS and a molecular weight of 401.33 g/mol. Its IUPAC name is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
PubChem CID146094803
Molecular FormulaC19H17BrN2OS
Molecular Weight401.33 g/mol
Exact Mass400.02
IUPAC NameN-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2OS/c1-12-5-3-4-6-16(12)18(23)21-13(2)19-22-17(11-24-19)14-7-9-15(20)10-8-14/h3-11,13H,1-2H3,(H,21,23)
InChIKeyJXPKFAFTCRBODJ-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.33
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]propanamide;hydrochloride
CID 119340387
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-4-(methylamino)butanamide
CID 119812957
3-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethylcarbamoylamino]propanoic acid
CID 122006908
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119812966
2-[[(1S)-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]amino]ethanol
CID 97353571
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
4-(4-bromophenyl)-4-oxo-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]butanamide
CID 86933082
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]piperidine-2-carboxamide
CID 119340374
4-fluoro-2-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702418
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624
4-methyl-2-[1-[(2-methylbenzoyl)amino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 75518239

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide (CID 146094803) is N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide?
The InChIKey is JXPKFAFTCRBODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2OS/c1-12-5-3-4-6-16(12)18(23)21-13(2)19-22-17(11-24-19)14-7-9-15(20)10-8-14/h3-11,13H,1-2H3,(H,21,23).
What are the key properties of N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide?
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide has a molecular weight of 401.33 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 146094803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).