6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C16H21N5S — CID 95979016

IUPAC6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H21N5S/c1-11-15(12(2)19(3)18-11)14-5-4-6-20(14)9-13-10-21-7-8-22-16(21)17-13/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyNQUHHLBVDSGRRP-AWEZNQCLSA-N
MW315.45 g/mol
LogP3.08
Rot. Bonds3

About 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 95979016) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID95979016
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H21N5S/c1-11-15(12(2)19(3)18-11)14-5-4-6-20(14)9-13-10-21-7-8-22-16(21)17-13/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1
InChIKeyNQUHHLBVDSGRRP-AWEZNQCLSA-N
XLogP3.08
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][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 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 95979016) is 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is NQUHHLBVDSGRRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11-15(12(2)19(3)18-11)14-5-4-6-20(14)9-13-10-21-7-8-22-16(21)17-13/h7-8,10,14H,4-6,9H2,1-3H3/t14-/m0/s1.
What are the key properties of 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 315.45 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 95979016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).