N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine

C17H24N2S — CID 4262299

IUPACN-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCC(C)(C)c1ccc(-c2csc(CCNC)n2)cc1
InChIInChI=1S/C17H24N2S/c1-5-17(2,3)14-8-6-13(7-9-14)15-12-20-16(19-15)10-11-18-4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyNVSLLKYPCXSVGV-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.26
Rot. Bonds6

About N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine

N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 4262299) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID4262299
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
SMILESCCC(C)(C)c1ccc(-c2csc(CCNC)n2)cc1
InChIInChI=1S/C17H24N2S/c1-5-17(2,3)14-8-6-13(7-9-14)15-12-20-16(19-15)10-11-18-4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyNVSLLKYPCXSVGV-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-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

Related Compounds

N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558505
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3880406
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
CID 71691448
3-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-N-methylpropan-1-amine
CID 116964998

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine (CID 4262299) is N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine is CCC(C)(C)c1ccc(-c2csc(CCNC)n2)cc1.
What is the InChIKey of N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NVSLLKYPCXSVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-17(2,3)14-8-6-13(7-9-14)15-12-20-16(19-15)10-11-18-4/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine?
N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 4262299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).