4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

C11H10BrClN2S — CID 103823395

IUPAC4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C11H10BrClN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3
InChIKeySSLPFAKAVFLLSJ-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline

4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 103823395) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID103823395
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCc1ncc(CNc2ccc(Br)c(Cl)c2)s1
InChIInChI=1S/C11H10BrClN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3
InChIKeySSLPFAKAVFLLSJ-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.64
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60942118
4-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(trifluoromethyl)aniline
CID 54868758
3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941535
2-chloro-N,N-dimethyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 60940622
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096
3-bromo-5-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-amine
CID 114835766
4-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylaniline
CID 168582394
3,4-dichloro-N-[(4,5-dibromothiophen-2-yl)methyl]aniline
CID 102830389
5-methyl-3-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzene-1,3-diamine
CID 112647291
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1H-indazol-6-amine
CID 54868500
3-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941546
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline (CID 103823395) is 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is Cc1ncc(CNc2ccc(Br)c(Cl)c2)s1.
What is the InChIKey of 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is SSLPFAKAVFLLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-7-14-5-9(16-7)6-15-8-2-3-10(12)11(13)4-8/h2-5,15H,6H2,1H3.
What are the key properties of 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline?
4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 317.64 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 103823395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).