3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

C22H15BrN2OS — CID 4643848

IUPAC3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H15BrN2OS/c23-19-10-5-15(6-11-19)7-12-21(26)25-22-24-20(14-27-22)18-9-8-16-3-1-2-4-17(16)13-18/h1-14H,(H,24,25,26)
InChIKeyUKRODRSJVFKQHX-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.38
Rot. Bonds4

About 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide

3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (PubChem CID 4643848) has the molecular formula C22H15BrN2OS and a molecular weight of 435.35 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
PubChem CID4643848
Molecular FormulaC22H15BrN2OS
Molecular Weight435.35 g/mol
Exact Mass434.01
IUPAC Name3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1
InChIInChI=1S/C22H15BrN2OS/c23-19-10-5-15(6-11-19)7-12-21(26)25-22-24-20(14-27-22)18-9-8-16-3-1-2-4-17(16)13-18/h1-14H,(H,24,25,26)
InChIKeyUKRODRSJVFKQHX-UHFFFAOYSA-N
XLogP6.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6020814
3-(4-bromophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 3710976
(Z)-3-(4-bromophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 87722892
(E)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 108756853
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4161376
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 108756821
(E)-3-(3-bromophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 7948149
3-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 4564383
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-propylsulfonylphenyl)prop-2-enamide
CID 173145043
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 7583048
(E)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 8511397
(E)-3-[4-(difluoromethoxy)phenyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 8895529

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide (CID 4643848) is 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is O=C(C=Cc1ccc(Br)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1.
What is the InChIKey of 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
The InChIKey is UKRODRSJVFKQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2OS/c23-19-10-5-15(6-11-19)7-12-21(26)25-22-24-20(14-27-22)18-9-8-16-3-1-2-4-17(16)13-18/h1-14H,(H,24,25,26).
What are the key properties of 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide?
3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide has a molecular weight of 435.35 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 4643848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).