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

C13H15ClN2S — CID 43201329

IUPAC2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccccc2Cl)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-8(13-9(2)17-10(3)16-13)15-12-7-5-4-6-11(12)14/h4-8,15H,1-3H3
InChIKeySTXJZLBOCCXZBJ-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.59
Rot. Bonds3

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

2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline (PubChem CID 43201329) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
PubChem CID43201329
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline
SMILESCc1nc(C(C)Nc2ccccc2Cl)c(C)s1
InChIInChI=1S/C13H15ClN2S/c1-8(13-9(2)17-10(3)16-13)15-12-7-5-4-6-11(12)14/h4-8,15H,1-3H3
InChIKeySTXJZLBOCCXZBJ-UHFFFAOYSA-N
XLogP4.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline?
The IUPAC name of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline (CID 43201329) is 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline is Cc1nc(C(C)Nc2ccccc2Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline?
The InChIKey is STXJZLBOCCXZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8(13-9(2)17-10(3)16-13)15-12-7-5-4-6-11(12)14/h4-8,15H,1-3H3.
What are the key properties of 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline?
2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline has a molecular weight of 266.80 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]aniline is sourced from PubChem (CID 43201329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).