2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole

C17H23N5S — CID 47053717

IUPAC2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnc(-c2nc(CN3CCCC(N4CCCC4)C3)cs2)nc1
InChIInChI=1S/C17H23N5S/c1-2-10-22(9-1)15-5-3-8-21(12-15)11-14-13-23-17(20-14)16-18-6-4-7-19-16/h4,6-7,13,15H,1-3,5,8-12H2
InChIKeyKITSMSYFOPRPFS-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.66
Rot. Bonds4

About 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole

2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole (PubChem CID 47053717) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
PubChem CID47053717
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole
SMILESc1cnc(-c2nc(CN3CCCC(N4CCCC4)C3)cs2)nc1
InChIInChI=1S/C17H23N5S/c1-2-10-22(9-1)15-5-3-8-21(12-15)11-14-13-23-17(20-14)16-18-6-4-7-19-16/h4,6-7,13,15H,1-3,5,8-12H2
InChIKeyKITSMSYFOPRPFS-UHFFFAOYSA-N
XLogP2.66
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-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 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole (CID 47053717) is 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole is c1cnc(-c2nc(CN3CCCC(N4CCCC4)C3)cs2)nc1.
What is the InChIKey of 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
The InChIKey is KITSMSYFOPRPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-2-10-22(9-1)15-5-3-8-21(12-15)11-14-13-23-17(20-14)16-18-6-4-7-19-16/h4,6-7,13,15H,1-3,5,8-12H2.
What are the key properties of 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole?
2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole has a molecular weight of 329.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-4-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 47053717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).