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

C13H15ClN2S — CID 103936659

IUPAC2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ccc(Cl)c(NC(C)c2scnc2C)c1
InChIInChI=1S/C13H15ClN2S/c1-8-4-5-11(14)12(6-8)16-10(3)13-9(2)15-7-17-13/h4-7,10,16H,1-3H3
InChIKeyKXDBZPUCZGBPHM-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.59
Rot. Bonds3

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

2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (PubChem CID 103936659) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.

Molecular Properties

Compound Name2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
PubChem CID103936659
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
SMILESCc1ccc(Cl)c(NC(C)c2scnc2C)c1
InChIInChI=1S/C13H15ClN2S/c1-8-4-5-11(14)12(6-8)16-10(3)13-9(2)15-7-17-13/h4-7,10,16H,1-3H3
InChIKeyKXDBZPUCZGBPHM-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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Related Compounds

2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119
2,4,5-trichloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43759104
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
4-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43762336
2,6-dichloro-4-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 83076710
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
2-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]pyridin-4-amine
CID 80528014
5-bromo-2-iodo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 114259232
6-chloro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]quinolin-8-amine
CID 43778931
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N,4-dimethyl-3-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]benzamide
CID 43787391
2-chloro-5-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107630952

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The IUPAC name of 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline (CID 103936659) is 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline.
What is the SMILES notation for 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The canonical SMILES for 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is Cc1ccc(Cl)c(NC(C)c2scnc2C)c1.
What is the InChIKey of 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
The InChIKey is KXDBZPUCZGBPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-4-5-11(14)12(6-8)16-10(3)13-9(2)15-7-17-13/h4-7,10,16H,1-3H3.
What are the key properties of 2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline?
2-chloro-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-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-5-methyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline is sourced from PubChem (CID 103936659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).