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

C14H19N3OS — CID 62766655

IUPAC5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2cccc(OC)c2)sc1CN
InChIInChI=1S/C14H19N3OS/c1-4-12-13(9-15)19-14(16-12)17(2)10-6-5-7-11(8-10)18-3/h5-8H,4,9,15H2,1-3H3
InChIKeyOOKQBUYWBGZYNI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.94
Rot. Bonds5

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

5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 62766655) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID62766655
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2cccc(OC)c2)sc1CN
InChIInChI=1S/C14H19N3OS/c1-4-12-13(9-15)19-14(16-12)17(2)10-6-5-7-11(8-10)18-3/h5-8H,4,9,15H2,1-3H3
InChIKeyOOKQBUYWBGZYNI-UHFFFAOYSA-N
XLogP2.94
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(3-methoxyphenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62767007
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79392583
5-(aminomethyl)-4-tert-butyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62766654
5-(aminomethyl)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine
CID 55113856
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 62769283
2-N-(3-methoxyphenyl)-2-N-methyl-1,3-benzothiazole-2,6-diamine
CID 63231344
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
4-(aminomethyl)-N-(3-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 107541879
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
[4-ethyl-2-[(4-methoxyphenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82428463
5-acetyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697183

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine (CID 62766655) is 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc(N(C)c2cccc(OC)c2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is OOKQBUYWBGZYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-12-13(9-15)19-14(16-12)17(2)10-6-5-7-11(8-10)18-3/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-(3-methoxyphenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62766655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).