2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole

C20H14BrNS — CID 19369885

IUPAC2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H14BrNS/c21-18-9-7-16(8-10-18)20-22-19(13-23-20)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2
InChIKeyABLSLTMDDVTSCU-UHFFFAOYSA-N
MW380.31 g/mol
LogP6.32
Rot. Bonds3

About 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole

2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole (PubChem CID 19369885) has the molecular formula C20H14BrNS and a molecular weight of 380.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole
PubChem CID19369885
Molecular FormulaC20H14BrNS
Molecular Weight380.31 g/mol
Exact Mass379.00
IUPAC Name2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole
SMILESBrc1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1
InChIInChI=1S/C20H14BrNS/c21-18-9-7-16(8-10-18)20-22-19(13-23-20)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2
InChIKeyABLSLTMDDVTSCU-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.31
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-naphthalen-2-yl-1,3-thiazol-4-yl)propan-2-amine
CID 116888207
N-[[2-(4-bromophenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 60683168
3-[2-(4-bromophenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 82124643
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
4-[(4-bromophenyl)methyl]-2-methyl-1,3-thiazole
CID 58762168
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849308
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
4-(4-benzyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 122140615
4-ethyl-2-phenyl-1,3-thiazole
CID 5324799
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
(2-phenyl-1,3-thiazol-4-yl)methanamine;dihydrochloride
CID 13196628

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole (CID 19369885) is 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole is Brc1ccc(-c2nc(Cc3ccc4ccccc4c3)cs2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole?
The InChIKey is ABLSLTMDDVTSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNS/c21-18-9-7-16(8-10-18)20-22-19(13-23-20)12-14-5-6-15-3-1-2-4-17(15)11-14/h1-11,13H,12H2.
What are the key properties of 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole?
2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole has a molecular weight of 380.31 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(naphthalen-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 19369885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).