5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine

C13H15Cl2N3S — CID 120902910

IUPAC5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N)s1
InChIInChI=1S/C13H15Cl2N3S/c1-2-18(8-10-6-17-13(16)19-10)7-9-3-4-11(14)12(15)5-9/h3-6H,2,7-8H2,1H3,(H2,16,17)
InChIKeyYGTJNCVHEMCHBP-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.05
Rot. Bonds5

About 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine

5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120902910) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120902910
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N)s1
InChIInChI=1S/C13H15Cl2N3S/c1-2-18(8-10-6-17-13(16)19-10)7-9-3-4-11(14)12(15)5-9/h3-6H,2,7-8H2,1H3,(H2,16,17)
InChIKeyYGTJNCVHEMCHBP-UHFFFAOYSA-N
XLogP4.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3,4-dichlorophenyl)methyl]-N,N,N'-triethylethane-1,2-diamine
CID 2058180
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120902697
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
5-[[(5-bromo-2-fluorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903083
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
2-[(3,4-dichlorophenyl)methyl-ethylamino]acetonitrile
CID 61035372
5-[(4-chloro-3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 107622752
5-[[4-[2-(3,4-dichlorophenyl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120904538
N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-(3,4-dichlorophenyl)propanamide
CID 123670080
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine (CID 120902910) is 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine is CCN(Cc1ccc(Cl)c(Cl)c1)Cc1cnc(N)s1.
What is the InChIKey of 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is YGTJNCVHEMCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-2-18(8-10-6-17-13(16)19-10)7-9-3-4-11(14)12(15)5-9/h3-6H,2,7-8H2,1H3,(H2,16,17).
What are the key properties of 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine?
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).