4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

C13H21N3S — CID 99973505

IUPAC4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1nc(CN2CC[C@H](N3CCCCC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1-2-5-16(6-3-1)13-4-7-15(9-13)8-12-10-17-11-14-12/h10-11,13H,1-9H2/t13-/m0/s1
InChIKeyLSWIDEGSVQDOQC-ZDUSSCGKSA-N
MW251.40 g/mol
LogP2.20
Rot. Bonds3

About 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 99973505) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID99973505
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1nc(CN2CC[C@H](N3CCCCC3)C2)cs1
InChIInChI=1S/C13H21N3S/c1-2-5-16(6-3-1)13-4-7-15(9-13)8-12-10-17-11-14-12/h10-11,13H,1-9H2/t13-/m0/s1
InChIKeyLSWIDEGSVQDOQC-ZDUSSCGKSA-N
XLogP2.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole 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 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 99973505) is 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is c1nc(CN2CC[C@H](N3CCCCC3)C2)cs1.
What is the InChIKey of 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is LSWIDEGSVQDOQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-5-16(6-3-1)13-4-7-15(9-13)8-12-10-17-11-14-12/h10-11,13H,1-9H2/t13-/m0/s1.
What are the key properties of 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 99973505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).