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

C13H15Cl2N3S — CID 120902697

IUPAC5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H15Cl2N3S/c1-8(9-3-4-11(14)12(15)5-9)18(2)7-10-6-17-13(16)19-10/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyADCMOZBCQIISGP-UHFFFAOYSA-N
MW316.26 g/mol
LogP4.23
Rot. Bonds4

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

5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 120902697) has the molecular formula C13H15Cl2N3S and a molecular weight of 316.26 g/mol. Its IUPAC name is 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
PubChem CID120902697
Molecular FormulaC13H15Cl2N3S
Molecular Weight316.26 g/mol
Exact Mass315.04
IUPAC Name5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc(N)s1
InChIInChI=1S/C13H15Cl2N3S/c1-8(9-3-4-11(14)12(15)5-9)18(2)7-10-6-17-13(16)19-10/h3-6,8H,7H2,1-2H3,(H2,16,17)
InChIKeyADCMOZBCQIISGP-UHFFFAOYSA-N
XLogP4.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
5-[[1-(2-bromophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120904904
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910
1-(3,4-dichlorophenyl)-N,N-dimethylethanamine
CID 116914680
5-[[1-(4-chlorophenyl)ethyl-cyclopropylamino]methyl]-1,3-thiazol-2-amine
CID 120898978
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903532
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202
5-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120897457
2-[[1-(4-chlorophenyl)ethyl-methylamino]methyl]pyridin-4-amine
CID 79251688
5-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 79772479
3-[1-[methyl(1,3-thiazol-5-ylmethyl)amino]ethyl]aniline
CID 112640978
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine (CID 120902697) is 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is CC(c1ccc(Cl)c(Cl)c1)N(C)Cc1cnc(N)s1.
What is the InChIKey of 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is ADCMOZBCQIISGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3S/c1-8(9-3-4-11(14)12(15)5-9)18(2)7-10-6-17-13(16)19-10/h3-6,8H,7H2,1-2H3,(H2,16,17).
What are the key properties of 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine?
5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 316.26 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,4-dichlorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).