2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C14H23N5OS — CID 120897637

IUPAC2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(CN2CCN(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c15-14-16-9-12(21-14)10-17-5-7-18(8-6-17)11-13(20)19-3-1-2-4-19/h9H,1-8,10-11H2,(H2,15,16)
InChIKeyYHLSDXXRCAJGGZ-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.47
Rot. Bonds4

About 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 120897637) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID120897637
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNc1ncc(CN2CCN(CC(=O)N3CCCC3)CC2)s1
InChIInChI=1S/C14H23N5OS/c15-14-16-9-12(21-14)10-17-5-7-18(8-6-17)11-13(20)19-3-1-2-4-19/h9H,1-8,10-11H2,(H2,15,16)
InChIKeyYHLSDXXRCAJGGZ-UHFFFAOYSA-N
XLogP0.47
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone 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

2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 120898377
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-2-cyclopentylethanone;hydrochloride
CID 120903273
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 120899146
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 120898176
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218
[4-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 138808676
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120898361
4-[(2-amino-1,3-thiazol-5-yl)methyl]-N-tert-butylpiperazine-1-carboxamide
CID 120903889
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 120901470
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 120897637) is 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Nc1ncc(CN2CCN(CC(=O)N3CCCC3)CC2)s1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YHLSDXXRCAJGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c15-14-16-9-12(21-14)10-17-5-7-18(8-6-17)11-13(20)19-3-1-2-4-19/h9H,1-8,10-11H2,(H2,15,16).
What are the key properties of 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 309.44 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 120897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).