1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C20H23N3S2 — CID 53272644

IUPAC1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3ncc(-c4cccs4)s3)CC2)cc1
InChIInChI=1S/C20H23N3S2/c1-2-5-16(6-3-1)15-23-10-8-17(9-11-23)21-14-20-22-13-19(25-20)18-7-4-12-24-18/h1-7,12-13,17,21H,8-11,14-15H2
InChIKeyNRWKHBGBIHLEMT-UHFFFAOYSA-N
MW369.56 g/mol
LogP4.63
Rot. Bonds6

About 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 53272644) has the molecular formula C20H23N3S2 and a molecular weight of 369.56 g/mol. Its IUPAC name is 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID53272644
Molecular FormulaC20H23N3S2
Molecular Weight369.56 g/mol
Exact Mass369.13
IUPAC Name1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3ncc(-c4cccs4)s3)CC2)cc1
InChIInChI=1S/C20H23N3S2/c1-2-5-16(6-3-1)15-23-10-8-17(9-11-23)21-14-20-22-13-19(25-20)18-7-4-12-24-18/h1-7,12-13,17,21H,8-11,14-15H2
InChIKeyNRWKHBGBIHLEMT-UHFFFAOYSA-N
XLogP4.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine 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-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53271614
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-[[5-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53273477
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-3-amine
CID 43327642
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
1-benzyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperidin-4-amine
CID 30961220
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
N-(1-benzylpiperidin-4-yl)-2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetamide
CID 36762015

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 53272644) is 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3ncc(-c4cccs4)s3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is NRWKHBGBIHLEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3S2/c1-2-5-16(6-3-1)15-23-10-8-17(9-11-23)21-14-20-22-13-19(25-20)18-7-4-12-24-18/h1-7,12-13,17,21H,8-11,14-15H2.
What are the key properties of 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 369.56 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(5-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 53272644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).