4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline

C10H7BrCl2N2S — CID 61168854

IUPAC4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cscn1
InChIInChI=1S/C10H7BrCl2N2S/c11-6-1-8(12)10(9(13)2-6)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2
InChIKeyTXJNSMUTGWIYTL-UHFFFAOYSA-N
MW338.06 g/mol
LogP4.82
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline

4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline (PubChem CID 61168854) has the molecular formula C10H7BrCl2N2S and a molecular weight of 338.06 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
PubChem CID61168854
Molecular FormulaC10H7BrCl2N2S
Molecular Weight338.06 g/mol
Exact Mass335.89
IUPAC Name4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cscn1
InChIInChI=1S/C10H7BrCl2N2S/c11-6-1-8(12)10(9(13)2-6)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2
InChIKeyTXJNSMUTGWIYTL-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

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Related Compounds

2-chloro-4,6-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 83081963
2-bromo-3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 103478131
5-chloro-N-(1,3-thiazol-4-ylmethyl)-1,3-benzothiazol-4-amine
CID 61171394
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
CID 28992923
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
2,5-dichloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 104726418
4-chloro-3-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107268113
2-chloro-4-iodo-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169264
2-chloro-5-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 107527417
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
4-bromo-2,6-dichloro-N-(quinoxalin-2-ylmethyl)aniline
CID 43773739
5-chloro-2-fluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60696679

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline (CID 61168854) is 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCc1cscn1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline?
The InChIKey is TXJNSMUTGWIYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2S/c11-6-1-8(12)10(9(13)2-6)14-3-7-4-16-5-15-7/h1-2,4-5,14H,3H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-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-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline is sourced from PubChem (CID 61168854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).