5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

C13H17N3OS — CID 62750864

IUPAC5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(N(C)c2ncc(C(C)N)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-9(14)12-8-15-13(18-12)16(2)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3
InChIKeyLBTNLCVKEXCKNV-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.94
Rot. Bonds4

About 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine

5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62750864) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62750864
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(N(C)c2ncc(C(C)N)s2)cc1
InChIInChI=1S/C13H17N3OS/c1-9(14)12-8-15-13(18-12)16(2)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3
InChIKeyLBTNLCVKEXCKNV-UHFFFAOYSA-N
XLogP2.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-aminoethyl)-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62750532
5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010
N-(4-fluorophenyl)-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 55111876
5-(1-aminoethyl)-N-ethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62752052
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896
5-[(2-methoxyethylamino)methyl]-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62753080
2-N-(4-methoxyphenyl)-2-N-methylpyrazine-2,5-diamine
CID 80653743
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
1-[2-[(7-methoxynaphthalen-1-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115506319
methyl 5-(1-aminoethyl)-1,3-thiazole-2-carboxylate
CID 115017066
5-(1-aminoethyl)-N-butyl-N-methyl-1,3-thiazol-2-amine
CID 62750832
N-(4-methoxyphenyl)-N-methylpyrimidin-5-amine
CID 110455016

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62750864) is 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is COc1ccc(N(C)c2ncc(C(C)N)s2)cc1.
What is the InChIKey of 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LBTNLCVKEXCKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(14)12-8-15-13(18-12)16(2)10-4-6-11(17-3)7-5-10/h4-9H,14H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-(4-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62750864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).