4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine

C14H18ClN3S — CID 65485252

IUPAC4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCC(c1ccccc1Cl)N(C)CCc1csc(N)n1
InChIInChI=1S/C14H18ClN3S/c1-10(12-5-3-4-6-13(12)15)18(2)8-7-11-9-19-14(16)17-11/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17)
InChIKeyMHFLBXDYECSHEU-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.61
Rot. Bonds5

About 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine

4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine (PubChem CID 65485252) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
PubChem CID65485252
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
SMILESCC(c1ccccc1Cl)N(C)CCc1csc(N)n1
InChIInChI=1S/C14H18ClN3S/c1-10(12-5-3-4-6-13(12)15)18(2)8-7-11-9-19-14(16)17-11/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17)
InChIKeyMHFLBXDYECSHEU-UHFFFAOYSA-N
XLogP3.61
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
4-[2-[bis(2-methylpropyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65485437
4-[2-[methoxy(methyl)amino]ethyl]-1,3-thiazol-2-amine
CID 114396487
2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026661
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189538
3-[3-[1-(2-chlorophenyl)ethyl-methylamino]propyl]aniline
CID 115342075
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-chlorophenyl)methanesulfonamide
CID 110717938
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
4-[[methyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine
CID 21090604
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine (CID 65485252) is 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine is CC(c1ccccc1Cl)N(C)CCc1csc(N)n1.
What is the InChIKey of 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine?
The InChIKey is MHFLBXDYECSHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10(12-5-3-4-6-13(12)15)18(2)8-7-11-9-19-14(16)17-11/h3-6,9-10H,7-8H2,1-2H3,(H2,16,17).
What are the key properties of 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine?
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65485252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).