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

C18H15BrN2OS — CID 112764369

IUPAC3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H15BrN2OS/c19-15-3-1-2-13(12-15)4-9-17(22)21-16-7-5-14(6-8-16)18-20-10-11-23-18/h1-3,5-8,10-12H,4,9H2,(H,21,22)
InChIKeyNVPPOKDBYGPRCT-UHFFFAOYSA-N
MW387.30 g/mol
LogP5.14
Rot. Bonds5

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

3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 112764369) has the molecular formula C18H15BrN2OS and a molecular weight of 387.30 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID112764369
Molecular FormulaC18H15BrN2OS
Molecular Weight387.30 g/mol
Exact Mass386.01
IUPAC Name3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESO=C(CCc1cccc(Br)c1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C18H15BrN2OS/c19-15-3-1-2-13(12-15)4-9-17(22)21-16-7-5-14(6-8-16)18-20-10-11-23-18/h1-3,5-8,10-12H,4,9H2,(H,21,22)
InChIKeyNVPPOKDBYGPRCT-UHFFFAOYSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.30
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 30159568
2-(2,6-dichlorophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795621
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
CID 119686436
3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
CID 78783817
N-[(3-bromophenyl)methyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936311
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
methyl 3-[[4-[3-(3-bromophenyl)propanoylamino]benzoyl]amino]propanoate
CID 78839781
N-[[4-[3-(3-bromophenyl)propanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108925744
N-(4-bromophenyl)-3-(3-chlorophenyl)propanamide
CID 1407353

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 112764369) is 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is O=C(CCc1cccc(Br)c1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is NVPPOKDBYGPRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS/c19-15-3-1-2-13(12-15)4-9-17(22)21-16-7-5-14(6-8-16)18-20-10-11-23-18/h1-3,5-8,10-12H,4,9H2,(H,21,22).
What are the key properties of 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 387.30 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 112764369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).