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

C14H25N5S — CID 120897629

IUPAC5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CCN3CCCC3)CC2)s1
InChIInChI=1S/C14H25N5S/c15-14-16-11-13(20-14)12-19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11H,1-10,12H2,(H2,15,16)
InChIKeyUIKHFBPUXQFIEI-UHFFFAOYSA-N
MW295.46 g/mol
LogP0.94
Rot. Bonds5

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

5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120897629) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120897629
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCN(CCN3CCCC3)CC2)s1
InChIInChI=1S/C14H25N5S/c15-14-16-11-13(20-14)12-19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11H,1-10,12H2,(H2,15,16)
InChIKeyUIKHFBPUXQFIEI-UHFFFAOYSA-N
XLogP0.94
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine 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 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120897629) is 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCN(CCN3CCCC3)CC2)s1.
What is the InChIKey of 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is UIKHFBPUXQFIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c15-14-16-11-13(20-14)12-19-9-7-18(8-10-19)6-5-17-3-1-2-4-17/h11H,1-10,12H2,(H2,15,16).
What are the key properties of 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 295.46 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120897629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).