4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline

C10H7BrCl2N2S — CID 107787698

IUPAC4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESClc1c(Br)ccc(NCc2cncs2)c1Cl
InChIInChI=1S/C10H7BrCl2N2S/c11-7-1-2-8(10(13)9(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2
InChIKeyFRUQAGORVBZCQL-UHFFFAOYSA-N
MW338.06 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline

4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline (PubChem CID 107787698) has the molecular formula C10H7BrCl2N2S and a molecular weight of 338.06 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
PubChem CID107787698
Molecular FormulaC10H7BrCl2N2S
Molecular Weight338.06 g/mol
Exact Mass335.89
IUPAC Name4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline
SMILESClc1c(Br)ccc(NCc2cncs2)c1Cl
InChIInChI=1S/C10H7BrCl2N2S/c11-7-1-2-8(10(13)9(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2
InChIKeyFRUQAGORVBZCQL-UHFFFAOYSA-N
XLogP4.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.06
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759054
5-[(4-bromo-2,3-dichloroanilino)methyl]thiophene-3-carbonitrile
CID 107787716
4-bromo-2,3-dichloro-N-[(3-ethylimidazol-4-yl)methyl]aniline
CID 107787455
4-bromo-2,3-dichloro-N-[(3-cyclopropylimidazol-4-yl)methyl]aniline
CID 107788117
2-[5-[(4-bromo-2,3-dichloroanilino)methyl]thiophen-2-yl]acetic acid
CID 107787381
3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759616
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
4-bromo-2,3-dichloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 107787931
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107787441
4-bromo-N-[(2-bromo-4-chlorophenyl)methyl]-2,3-dichloroaniline
CID 107788034
4-bromo-2,3-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 113429964
4-bromo-5-fluoro-2-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 116736330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline (CID 107787698) is 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline is Clc1c(Br)ccc(NCc2cncs2)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline?
The InChIKey is FRUQAGORVBZCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2S/c11-7-1-2-8(10(13)9(7)12)15-4-6-3-14-5-16-6/h1-3,5,15H,4H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline?
4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline has a molecular weight of 338.06 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-(1,3-thiazol-5-ylmethyl)aniline is sourced from PubChem (CID 107787698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).