4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

C13H15N3S — CID 95729061

IUPAC4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc([C@@H]2CCCN2Cc2cscn2)nc1
InChIInChI=1S/C13H15N3S/c1-2-6-14-12(4-1)13-5-3-7-16(13)8-11-9-17-10-15-11/h1-2,4,6,9-10,13H,3,5,7-8H2/t13-/m0/s1
InChIKeySUKCDYLHSPUPDR-ZDUSSCGKSA-N
MW245.35 g/mol
LogP2.88
Rot. Bonds3

About 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 95729061) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID95729061
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc([C@@H]2CCCN2Cc2cscn2)nc1
InChIInChI=1S/C13H15N3S/c1-2-6-14-12(4-1)13-5-3-7-16(13)8-11-9-17-10-15-11/h1-2,4,6,9-10,13H,3,5,7-8H2/t13-/m0/s1
InChIKeySUKCDYLHSPUPDR-ZDUSSCGKSA-N
XLogP2.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-pyridin-2-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

Related Compounds

N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 124954569
2-methyl-4-[[(2R)-2-pyridin-2-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124755806
3-methyl-N-[4-[(2R)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]pyridin-2-amine
CID 124957204
N,N,2-trimethyl-6-[(2S)-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-yl]pyrimidin-4-amine
CID 124948743
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 77081994
5-methyl-3-[(2R)-1-(1,3-thiazol-4-ylmethyl)piperidin-2-yl]-1,2-oxazole
CID 99943755
4-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99958850
4-[[2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 77097504
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
4-[[2-(fluoromethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 126787336
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole (CID 95729061) is 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is c1ccc([C@@H]2CCCN2Cc2cscn2)nc1.
What is the InChIKey of 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is SUKCDYLHSPUPDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-6-14-12(4-1)13-5-3-7-16(13)8-11-9-17-10-15-11/h1-2,4,6,9-10,13H,3,5,7-8H2/t13-/m0/s1.
What are the key properties of 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 245.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 95729061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).