N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

C17H23N3S — CID 62766165

IUPACN-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCCCC2C)nc1-c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13-8-6-7-11-20(13)17-19-16(15(21-17)12-18-2)14-9-4-3-5-10-14/h3-5,9-10,13,18H,6-8,11-12H2,1-2H3
InChIKeyNGDRMVBTAHZINY-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.91
Rot. Bonds4

About N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine

N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (PubChem CID 62766165) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
PubChem CID62766165
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCCCC2C)nc1-c1ccccc1
InChIInChI=1S/C17H23N3S/c1-13-8-6-7-11-20(13)17-19-16(15(21-17)12-18-2)14-9-4-3-5-10-14/h3-5,9-10,13,18H,6-8,11-12H2,1-2H3
InChIKeyNGDRMVBTAHZINY-UHFFFAOYSA-N
XLogP3.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine 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

1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
[4-chloro-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692988
N-[[4-cyclopropyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 63916943
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55113238
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678
[2-(2-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393020
2-(2-methylpiperidin-1-yl)-1,3-benzothiazin-4-one
CID 25230888
[2-(4-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 62765321
N-methyl-1-[2-(2-methylpiperidin-1-yl)quinolin-3-yl]methanamine
CID 43280386

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine (CID 62766165) is N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is CNCc1sc(N2CCCCC2C)nc1-c1ccccc1.
What is the InChIKey of N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is NGDRMVBTAHZINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13-8-6-7-11-20(13)17-19-16(15(21-17)12-18-2)14-9-4-3-5-10-14/h3-5,9-10,13,18H,6-8,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 301.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylpiperidin-1-yl)-4-phenyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62766165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).