N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline

C17H23N3OS — CID 75385355

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCc1csc(CNc2cccc(OCCN3CCCC3)c2)n1
InChIInChI=1S/C17H23N3OS/c1-14-13-22-17(19-14)12-18-15-5-4-6-16(11-15)21-10-9-20-7-2-3-8-20/h4-6,11,13,18H,2-3,7-10,12H2,1H3
InChIKeyQNVRWJWFZLNGHH-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.54
Rot. Bonds7

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 75385355) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID75385355
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCc1csc(CNc2cccc(OCCN3CCCC3)c2)n1
InChIInChI=1S/C17H23N3OS/c1-14-13-22-17(19-14)12-18-15-5-4-6-16(11-15)21-10-9-20-7-2-3-8-20/h4-6,11,13,18H,2-3,7-10,12H2,1H3
InChIKeyQNVRWJWFZLNGHH-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline 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-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline (CID 75385355) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline is Cc1csc(CNc2cccc(OCCN3CCCC3)c2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is QNVRWJWFZLNGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-14-13-22-17(19-14)12-18-15-5-4-6-16(11-15)21-10-9-20-7-2-3-8-20/h4-6,11,13,18H,2-3,7-10,12H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 317.46 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 75385355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).