1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide

C17H15BrN2OS — CID 2877625

IUPAC1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide
SMILESBr.CC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2OS.BrH/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13;/h2-11H,1H3,(H,18,19);1H
InChIKeyYSERPWJHYDBARE-UHFFFAOYSA-N
MW375.29 g/mol
LogP5.33
Rot. Bonds4

About 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide

1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide (PubChem CID 2877625) has the molecular formula C17H15BrN2OS and a molecular weight of 375.29 g/mol. Its IUPAC name is 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide
PubChem CID2877625
Molecular FormulaC17H15BrN2OS
Molecular Weight375.29 g/mol
Exact Mass374.01
IUPAC Name1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide
SMILESBr.CC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1
InChIInChI=1S/C17H14N2OS.BrH/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13;/h2-11H,1H3,(H,18,19);1H
InChIKeyYSERPWJHYDBARE-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.29
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-Amino-2-(Phenylamino)-1,3-Thiazol-5-Yl](Phenyl)methanone
CID 936046
4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 981611
2-Cinnamamido-4-phenylthiazole
CID 690181
4-nitro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 718622
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
1-[4-Methyl-2-(Naphthalen-2-Ylamino)-1,3-Thiazol-5-Yl]ethanone
CID 118732495
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 824266
{4-Amino-2-[(3-fluorophenyl)amino]-1,3-thiazol-5-yl}(phenyl)methanone
CID 1504410
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-phenylmethanone
CID 2814150

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide?
The IUPAC name of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide (CID 2877625) is 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide.
What is the SMILES notation for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide?
The canonical SMILES for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide is Br.CC(=O)c1cccc(Nc2nc(-c3ccccc3)cs2)c1.
What is the InChIKey of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide?
The InChIKey is YSERPWJHYDBARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS.BrH/c1-12(20)14-8-5-9-15(10-14)18-17-19-16(11-21-17)13-6-3-2-4-7-13;/h2-11H,1H3,(H,18,19);1H.
What are the key properties of 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide?
1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide has a molecular weight of 375.29 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]ethanone;hydrobromide is sourced from PubChem (CID 2877625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).