2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole

C20H15BrClNOS — CID 132593114

IUPAC2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1cc(C2=NCCS2)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C20H15BrClNOS/c21-17-10-15(20-23-8-9-25-20)11-18(22)19(17)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10-11H,8-9,12H2
InChIKeyMHDJLYFAGJQMDM-UHFFFAOYSA-N
MW432.77 g/mol
LogP6.33
Rot. Bonds4

About 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole

2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole (PubChem CID 132593114) has the molecular formula C20H15BrClNOS and a molecular weight of 432.77 g/mol. Its IUPAC name is 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole
PubChem CID132593114
Molecular FormulaC20H15BrClNOS
Molecular Weight432.77 g/mol
Exact Mass430.97
IUPAC Name2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole
SMILESClc1cc(C2=NCCS2)cc(Br)c1OCc1cccc2ccccc12
InChIInChI=1S/C20H15BrClNOS/c21-17-10-15(20-23-8-9-25-20)11-18(22)19(17)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10-11H,8-9,12H2
InChIKeyMHDJLYFAGJQMDM-UHFFFAOYSA-N
XLogP6.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.77
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-5-chloro-4-[(3-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593104
2-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593001
2-[3-[(2-chlorophenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593144
3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)benzoyl chloride
CID 91686017
3-bromo-5-chloro-2-(naphthalen-1-ylmethoxy)benzaldehyde
CID 20985669
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 98050135
2-(2-chlorophenyl)-3-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
CID 4261726
(5Z)-5-[[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
CID 124532064
5-[3-bromo-5-chloro-4-[(2-methylphenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91686188
(5E)-5-[[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 126075260
2-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]indene-1,3-dione
CID 126396053
(5E)-5-[[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 50870642

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole (CID 132593114) is 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole is Clc1cc(C2=NCCS2)cc(Br)c1OCc1cccc2ccccc12.
What is the InChIKey of 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is MHDJLYFAGJQMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClNOS/c21-17-10-15(20-23-8-9-25-20)11-18(22)19(17)24-12-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10-11H,8-9,12H2.
What are the key properties of 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole?
2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 432.77 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 132593114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).