4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

C20H18BrN3OS — CID 123668544

IUPAC4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESBrc1cccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)c1
InChIInChI=1S/C20H18BrN3OS/c21-14-6-5-7-15(12-14)25-18-9-2-1-8-16(18)17-13-26-20(23-17)24-19-10-3-4-11-22-19/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,23,24)
InChIKeyBIRSIZOMDVYJRC-UHFFFAOYSA-N
MW428.36 g/mol
LogP6.36
Rot. Bonds4

About 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine

4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (PubChem CID 123668544) has the molecular formula C20H18BrN3OS and a molecular weight of 428.36 g/mol. Its IUPAC name is 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
PubChem CID123668544
Molecular FormulaC20H18BrN3OS
Molecular Weight428.36 g/mol
Exact Mass427.04
IUPAC Name4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
SMILESBrc1cccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)c1
InChIInChI=1S/C20H18BrN3OS/c21-14-6-5-7-15(12-14)25-18-9-2-1-8-16(18)17-13-26-20(23-17)24-19-10-3-4-11-22-19/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,23,24)
InChIKeyBIRSIZOMDVYJRC-UHFFFAOYSA-N
XLogP6.36
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.36
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[2-(3,4-difluorophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123536502
4-(3-methoxyphenyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 123700525
4-(2-chloro-3-pyridinyl)-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine
CID 87196759
2-(3-bromophenoxy)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19218037
4-(2,4-dichlorophenyl)-N-(3,4-dihydro-2H-pyrrol-5-yl)-1,3-thiazol-2-amine;hydrobromide
CID 171109534
4-[4-(difluoromethoxy)phenyl]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-2-amine
CID 34883745
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)-1,3-thiazol-2-amine
CID 132601874
4-(2-chlorophenyl)-N-(3-phenoxyphenyl)-1,3-thiazol-2-amine
CID 58791971
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-[2-(2,4-dimethylphenoxy)phenyl]-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 166625295
N-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 70696152

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine (CID 123668544) is 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is Brc1cccc(Oc2ccccc2-c2csc(NC3=NCCCC3)n2)c1.
What is the InChIKey of 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
The InChIKey is BIRSIZOMDVYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3OS/c21-14-6-5-7-15(12-14)25-18-9-2-1-8-16(18)17-13-26-20(23-17)24-19-10-3-4-11-22-19/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,23,24).
What are the key properties of 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine?
4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine has a molecular weight of 428.36 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenoxy)phenyl]-N-(2,3,4,5-tetrahydropyridin-6-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 123668544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).