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

C11H10BrClN2S — CID 43091215

IUPAC4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C11H10BrClN2S/c1-7-15-9(6-16-7)5-14-11-3-2-8(12)4-10(11)13/h2-4,6,14H,5H2,1H3
InChIKeyPOUMYYQVZQNPEF-UHFFFAOYSA-N
MW317.64 g/mol
LogP4.48
Rot. Bonds3

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

4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43091215) has the molecular formula C11H10BrClN2S and a molecular weight of 317.64 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43091215
Molecular FormulaC11H10BrClN2S
Molecular Weight317.64 g/mol
Exact Mass315.94
IUPAC Name4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1nc(CNc2ccc(Br)cc2Cl)cs1
InChIInChI=1S/C11H10BrClN2S/c1-7-15-9(6-16-7)5-14-11-3-2-8(12)4-10(11)13/h2-4,6,14H,5H2,1H3
InChIKeyPOUMYYQVZQNPEF-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-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 43685912
4-bromo-2-chloro-N-(quinolin-2-ylmethyl)aniline
CID 43236879
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
3,5-dichloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780943
4-bromo-2-chloro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43347207
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54865790
4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-chloro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 55152436

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline (CID 43091215) is 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is Cc1nc(CNc2ccc(Br)cc2Cl)cs1.
What is the InChIKey of 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is POUMYYQVZQNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2S/c1-7-15-9(6-16-7)5-14-11-3-2-8(12)4-10(11)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline?
4-bromo-2-chloro-N-[(2-methyl-1,3-thiazol-4-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-2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43091215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).