4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

C13H17N3S — CID 136988830

IUPAC4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2nc(CC3CCCNC3)cs2)c[nH]1
InChIInChI=1S/C13H17N3S/c1-2-10(7-14-4-1)6-12-9-17-13(16-12)11-3-5-15-8-11/h3,5,8-10,14-15H,1-2,4,6-7H2
InChIKeyJBLMKPITPVLYSR-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.68
Rot. Bonds3

About 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136988830) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136988830
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESc1cc(-c2nc(CC3CCCNC3)cs2)c[nH]1
InChIInChI=1S/C13H17N3S/c1-2-10(7-14-4-1)6-12-9-17-13(16-12)11-3-5-15-8-11/h3,5,8-10,14-15H,1-2,4,6-7H2
InChIKeyJBLMKPITPVLYSR-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-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

Related Compounds

4-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988832
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
2-(2-fluorophenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888776
2-cyclopropyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 82659962
2-(5-bromo-2-methylphenyl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888773
3-(piperidin-3-ylmethyl)-1,2-oxazol-5-amine
CID 83846636
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(piperidin-3-ylmethyl)acetamide
CID 119459858
methyl 2-[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]acetate
CID 136988898
2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 115089037
3-[(3-chlorothiophen-2-yl)methyl]piperidine
CID 130534670
6-(piperidin-3-ylmethyl)pyridazin-3-amine
CID 117106274
3-(piperidin-3-ylmethyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 63221731

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136988830) is 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is c1cc(-c2nc(CC3CCCNC3)cs2)c[nH]1.
What is the InChIKey of 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is JBLMKPITPVLYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-10(7-14-4-1)6-12-9-17-13(16-12)11-3-5-15-8-11/h3,5,8-10,14-15H,1-2,4,6-7H2.
What are the key properties of 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 247.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136988830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).