3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline

C11H10Cl2N2S — CID 94282162

IUPAC3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESClc1cc(Cl)cc(NCCc2nccs2)c1
InChIInChI=1S/C11H10Cl2N2S/c12-8-5-9(13)7-10(6-8)14-2-1-11-15-3-4-16-11/h3-7,14H,1-2H2
InChIKeyDQQMOHWTNUOZPW-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.10
Rot. Bonds4

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

3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (PubChem CID 94282162) has the molecular formula C11H10Cl2N2S and a molecular weight of 273.19 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
PubChem CID94282162
Molecular FormulaC11H10Cl2N2S
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
SMILESClc1cc(Cl)cc(NCCc2nccs2)c1
InChIInChI=1S/C11H10Cl2N2S/c12-8-5-9(13)7-10(6-8)14-2-1-11-15-3-4-16-11/h3-7,14H,1-2H2
InChIKeyDQQMOHWTNUOZPW-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750805
2-[(3,5-dichlorophenoxy)methyl]-1,3-thiazole
CID 53406325
2-fluoro-5-[2-(1,3-thiazol-2-yl)ethylamino]benzoic acid
CID 82539161
4-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-2-carbonitrile
CID 63242090
N-[2-(1,3-thiazol-2-yl)ethyl]-3-(trifluoromethyl)aniline
CID 82539157
3-amino-5-chloro-2-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 103051424
1-N-methyl-5-nitro-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80828286
1-N-ethyl-5-nitro-3-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 80827672
3-hydrazinyl-5-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline
CID 80914336
3-N,3-N-dimethyl-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,3-diamine
CID 82539174
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
5-chloro-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 171705381

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The IUPAC name of 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline (CID 94282162) is 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline.
What is the SMILES notation for 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The canonical SMILES for 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is Clc1cc(Cl)cc(NCCc2nccs2)c1.
What is the InChIKey of 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
The InChIKey is DQQMOHWTNUOZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2S/c12-8-5-9(13)7-10(6-8)14-2-1-11-15-3-4-16-11/h3-7,14H,1-2H2.
What are the key properties of 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline?
3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline has a molecular weight of 273.19 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(1,3-thiazol-2-yl)ethyl]aniline is sourced from PubChem (CID 94282162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).