N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C14H18ClN3S — CID 55112162

IUPACN-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-5-4-6-12(15)7-11/h4-8,10,16H,9H2,1-3H3
InChIKeyVEEATGDMWMZYOX-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.71
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 55112162) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID55112162
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)Cc2cccc(Cl)c2)s1
InChIInChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-5-4-6-12(15)7-11/h4-8,10,16H,9H2,1-3H3
InChIKeyVEEATGDMWMZYOX-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62755005
N-[(3-bromophenyl)methyl]-5-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62752560
2-chloro-N-[(3-chlorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 63532231
N-methyl-5-[1-(methylamino)ethyl]-N-(2-propan-2-yloxyethyl)-1,3-thiazol-2-amine
CID 81068221
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
5-[1-(ethylamino)ethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 62754993
N-methyl-5-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]-1,3-thiazol-2-amine
CID 63234787
N-[(3-chlorophenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-4-amine
CID 81246803
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794306
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 65486948

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 55112162) is N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1cnc(N(C)Cc2cccc(Cl)c2)s1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is VEEATGDMWMZYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-5-4-6-12(15)7-11/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 55112162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).