N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

C14H22N4S — CID 91839440

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cc(C)n(CCN(C)CCc2csc(C)n2)n1
InChIInChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3
InChIKeyNNEULQHALRZNPL-UHFFFAOYSA-N
MW278.43 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 91839440) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
PubChem CID91839440
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1cc(C)n(CCN(C)CCc2csc(C)n2)n1
InChIInChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3
InChIKeyNNEULQHALRZNPL-UHFFFAOYSA-N
XLogP2.44
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine 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-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine (CID 91839440) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is Cc1cc(C)n(CCN(C)CCc2csc(C)n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is NNEULQHALRZNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-11-9-12(2)18(16-11)8-7-17(4)6-5-14-10-19-13(3)15-14/h9-10H,5-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 278.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 91839440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).