2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine

C9H12Cl2N2S — CID 79167749

IUPAC2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
SMILESCCC(NCC(Cl)=CCl)c1nccs1
InChIInChI=1S/C9H12Cl2N2S/c1-2-8(9-12-3-4-14-9)13-6-7(11)5-10/h3-5,8,13H,2,6H2,1H3
InChIKeyYZZOOEZAYHJUDI-UHFFFAOYSA-N
MW251.18 g/mol
LogP3.50
Rot. Bonds5

About 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine

2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine (PubChem CID 79167749) has the molecular formula C9H12Cl2N2S and a molecular weight of 251.18 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
PubChem CID79167749
Molecular FormulaC9H12Cl2N2S
Molecular Weight251.18 g/mol
Exact Mass250.01
IUPAC Name2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine
SMILESCCC(NCC(Cl)=CCl)c1nccs1
InChIInChI=1S/C9H12Cl2N2S/c1-2-8(9-12-3-4-14-9)13-6-7(11)5-10/h3-5,8,13H,2,6H2,1H3
InChIKeyYZZOOEZAYHJUDI-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(1,3-thiazol-2-yl)propylamino]methyl]pentan-3-ol
CID 104578211
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
2,2-dimethyl-3-[1-(1,3-thiazol-2-yl)propylamino]propanoic acid
CID 79624178
(Z)-2-ethyl-4-[1-(1,3-thiazol-2-yl)propylamino]but-2-enoic acid
CID 103253927
4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953541
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 81144527
2,6-dichloro-4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]aniline
CID 82841050
2-[4-[[1-(1,3-thiazol-2-yl)propylamino]methyl]phenyl]propanoic acid
CID 103253944
N-[(3,5-dibromo-2-pyridinyl)methyl]-1-(1,3-thiazol-2-yl)propan-1-amine
CID 113393720
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
N'-hydroxy-2-[[1-(1,3-thiazol-2-yl)propylamino]methyl]benzenecarboximidamide
CID 77045231
4-[4-[1-(1,3-thiazol-2-yl)propylamino]butan-2-yl]aniline
CID 104501708

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine (CID 79167749) is 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine is CCC(NCC(Cl)=CCl)c1nccs1.
What is the InChIKey of 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine?
The InChIKey is YZZOOEZAYHJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2S/c1-2-8(9-12-3-4-14-9)13-6-7(11)5-10/h3-5,8,13H,2,6H2,1H3.
What are the key properties of 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine?
2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine has a molecular weight of 251.18 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]prop-2-en-1-amine is sourced from PubChem (CID 79167749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).