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

C14H19N3S — CID 62769283

IUPAC5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccccc2C)sc1CN
InChIInChI=1S/C14H19N3S/c1-4-11-13(9-15)18-14(16-11)17(3)12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3
InChIKeyYSIYQXJTYRARAO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.24
Rot. Bonds4

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

5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 62769283) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
PubChem CID62769283
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)c2ccccc2C)sc1CN
InChIInChI=1S/C14H19N3S/c1-4-11-13(9-15)18-14(16-11)17(3)12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3
InChIKeyYSIYQXJTYRARAO-UHFFFAOYSA-N
XLogP3.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine (CID 62769283) is 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine is CCc1nc(N(C)c2ccccc2C)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is YSIYQXJTYRARAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-11-13(9-15)18-14(16-11)17(3)12-8-6-5-7-10(12)2/h5-8H,4,9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-methyl-N-(2-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62769283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).