2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C15H25N3O2S2 — CID 126773878

IUPAC2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(CN2CCC(CN3CCCC3)C2)cs1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)12-15-16-14(11-21-15)10-18-7-4-13(9-18)8-17-5-2-3-6-17/h11,13H,2-10,12H2,1H3
InChIKeyFOLPZIIBHPCQEW-UHFFFAOYSA-N
MW343.52 g/mol
LogP1.61
Rot. Bonds6

About 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 126773878) has the molecular formula C15H25N3O2S2 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID126773878
Molecular FormulaC15H25N3O2S2
Molecular Weight343.52 g/mol
Exact Mass343.14
IUPAC Name2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCS(=O)(=O)Cc1nc(CN2CCC(CN3CCCC3)C2)cs1
InChIInChI=1S/C15H25N3O2S2/c1-22(19,20)12-15-16-14(11-21-15)10-18-7-4-13(9-18)8-17-5-2-3-6-17/h11,13H,2-10,12H2,1H3
InChIKeyFOLPZIIBHPCQEW-UHFFFAOYSA-N
XLogP1.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-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

[4-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 63008864
4-[[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methyl]morpholine
CID 126781884
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 111758207
3-[1-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-2-yl]propan-1-ol
CID 111487689
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
2-[4-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 94340607
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
2-butyl-4-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95331583
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 126773878) is 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is CS(=O)(=O)Cc1nc(CN2CCC(CN3CCCC3)C2)cs1.
What is the InChIKey of 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FOLPZIIBHPCQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S2/c1-22(19,20)12-15-16-14(11-21-15)10-18-7-4-13(9-18)8-17-5-2-3-6-17/h11,13H,2-10,12H2,1H3.
What are the key properties of 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 343.52 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfonylmethyl)-4-[[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126773878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).