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

C15H21N3S — CID 79771341

IUPACN-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(CC)c2ccccc2C)s1
InChIInChI=1S/C15H21N3S/c1-4-16-15-17-10-13(19-15)11-18(5-2)14-9-7-6-8-12(14)3/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeySFDQOMIZEXFQEV-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.91
Rot. Bonds6

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

N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine (PubChem CID 79771341) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine
PubChem CID79771341
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN(CC)c2ccccc2C)s1
InChIInChI=1S/C15H21N3S/c1-4-16-15-17-10-13(19-15)11-18(5-2)14-9-7-6-8-12(14)3/h6-10H,4-5,11H2,1-3H3,(H,16,17)
InChIKeySFDQOMIZEXFQEV-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine (CID 79771341) is N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN(CC)c2ccccc2C)s1.
What is the InChIKey of N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SFDQOMIZEXFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-16-15-17-10-13(19-15)11-18(5-2)14-9-7-6-8-12(14)3/h6-10H,4-5,11H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(N-ethyl-2-methylanilino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79771341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).