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

C16H11BrN2OS — CID 19169584

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1
InChIInChI=1S/C16H11BrN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyPEMBLZQNIYDMCW-UHFFFAOYSA-N
MW359.25 g/mol
LogP4.82
Rot. Bonds3

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

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 19169584) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID19169584
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1
InChIInChI=1S/C16H11BrN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChIKeyPEMBLZQNIYDMCW-UHFFFAOYSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-(4-phenyl-2-thiazolyl)benzamide
CID 577347
4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
2-Cinnamamido-4-phenylthiazole
CID 690181
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-(4-Phenyl-1,3-thiazol-2-yl)-7-sulfanyl-heptanamide
CID 11427204
4-tert-butyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 824266
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 871637
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 7597179

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide (CID 19169584) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is PEMBLZQNIYDMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c17-13-8-4-7-12(9-13)14-10-21-16(18-14)19-15(20)11-5-2-1-3-6-11/h1-10H,(H,18,19,20).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 359.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 19169584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).