2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine

C14H18ClN3S — CID 82026661

IUPAC2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCN(C)C(c1nc(CCN)cs1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3S/c1-18(2)13(11-5-3-4-6-12(11)15)14-17-10(7-8-16)9-19-14/h3-6,9,13H,7-8,16H2,1-2H3
InChIKeyJXLZQMUJTSHSDY-UHFFFAOYSA-N
MW295.84 g/mol
LogP2.95
Rot. Bonds5

About 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine

2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine (PubChem CID 82026661) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
PubChem CID82026661
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine
SMILESCN(C)C(c1nc(CCN)cs1)c1ccccc1Cl
InChIInChI=1S/C14H18ClN3S/c1-18(2)13(11-5-3-4-6-12(11)15)14-17-10(7-8-16)9-19-14/h3-6,9,13H,7-8,16H2,1-2H3
InChIKeyJXLZQMUJTSHSDY-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[dimethylamino-(2-methoxyphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026658
4-[2-[1-(2-chlorophenyl)ethyl-methylamino]ethyl]-1,3-thiazol-2-amine
CID 65485252
4-(2-aminoethyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 15017654
2-[2-[(3-chlorophenyl)-phenylmethyl]-1,3-thiazol-4-yl]ethanamine
CID 10476634
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]-N,N-diethylethanamine
CID 112501302
N-[[4-(aminomethyl)-1,3-thiazol-2-yl]-(2-methylphenyl)methyl]-N-ethylethanamine
CID 84750392
2-[2-[phenyl(pyrrolidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 82026664
2-[dimethylamino-(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 84750221
2-(2-chloro-1,3-thiazol-4-yl)ethanamine
CID 70439393
1-[4-(2-aminoethyl)-1,3-thiazol-2-yl]pentan-1-ol
CID 165485806
1-(2-chlorophenyl)-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62644685
N-[2-[4-(2-aminoethyl)-1,3-thiazol-2-yl]propyl]-N,1-dimethylpiperidin-4-amine
CID 82163081

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine (CID 82026661) is 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine is CN(C)C(c1nc(CCN)cs1)c1ccccc1Cl.
What is the InChIKey of 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine?
The InChIKey is JXLZQMUJTSHSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-18(2)13(11-5-3-4-6-12(11)15)14-17-10(7-8-16)9-19-14/h3-6,9,13H,7-8,16H2,1-2H3.
What are the key properties of 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine?
2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine has a molecular weight of 295.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)-(dimethylamino)methyl]-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82026661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).