N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline

C11H8Cl2N2S — CID 166735111

IUPACN-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2S/c1-7(10-9(12)11(13)15-16-10)14-8-5-3-2-4-6-8/h2-6,14H,1H2
InChIKeyRRCOVBIYIPTDDC-UHFFFAOYSA-N
MW271.17 g/mol
LogP4.53
Rot. Bonds3

About N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline

N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline (PubChem CID 166735111) has the molecular formula C11H8Cl2N2S and a molecular weight of 271.17 g/mol. Its IUPAC name is N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline.

Molecular Properties

Compound NameN-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline
PubChem CID166735111
Molecular FormulaC11H8Cl2N2S
Molecular Weight271.17 g/mol
Exact Mass269.98
IUPAC NameN-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline
SMILESC=C(Nc1ccccc1)c1snc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2S/c1-7(10-9(12)11(13)15-16-10)14-8-5-3-2-4-6-8/h2-6,14H,1H2
InChIKeyRRCOVBIYIPTDDC-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-phenyl-1,2-thiazole-5-carboxamide
CID 19880776
2-[1-(3,4-Dichloro-1,2-thiazol-5-yl)ethenylamino]benzonitrile
CID 89376270
2-[(3,4-Dichloro-1,2-thiazol-5-yl)methylamino]benzonitrile
CID 91229230
3,4-dichloro-N'-phenyl-1,2-thiazole-5-carboximidamide
CID 148585686
N-(3-chlorophenyl)-3,5-dimethyl-1,2-thiazol-4-amine
CID 169796766
(3,4-Dichloro-1,2-thiazol-5-yl)-phenylcyanamide
CID 174897338

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline?
The IUPAC name of N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline (CID 166735111) is N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline.
What is the SMILES notation for N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline?
The canonical SMILES for N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline is C=C(Nc1ccccc1)c1snc(Cl)c1Cl.
What is the InChIKey of N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline?
The InChIKey is RRCOVBIYIPTDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2S/c1-7(10-9(12)11(13)15-16-10)14-8-5-3-2-4-6-8/h2-6,14H,1H2.
What are the key properties of N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline?
N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline has a molecular weight of 271.17 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichloro-1,2-thiazol-5-yl)ethenyl]aniline is sourced from PubChem (CID 166735111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).