4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C12H20N2S — CID 97319043

IUPAC4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)C[C@H]1CCN(Cc2cscn2)C1
InChIInChI=1S/C12H20N2S/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyAEBUAOATWWGIDW-LLVKDONJSA-N
MW224.37 g/mol
LogP3.01
Rot. Bonds4

About 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole

4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 97319043) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID97319043
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)C[C@H]1CCN(Cc2cscn2)C1
InChIInChI=1S/C12H20N2S/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3/t11-/m1/s1
InChIKeyAEBUAOATWWGIDW-LLVKDONJSA-N
XLogP3.01
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[(3S)-3-(2-methylpropyl)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

N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63830989
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 169242095
1-(1,3-thiazol-4-ylmethyl)-N-(2,2,5-trimethylhexan-3-yl)piperidin-4-amine
CID 75444299
(2R)-1-[(2S)-2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]propan-2-ol
CID 95766441
4-[[(3S)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 124980275
4-[[(3S)-3-[(4-methylphenoxy)methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 99959433
4-[[(3S)-3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 97188791
[1-[2-(1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 64866462
N-(cyclopropylmethyl)-1-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 78924569
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099460
4-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]thiomorpholine
CID 118790214
4-[[4-(pyridin-2-yloxymethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 75424571

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 97319043) is 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is CC(C)C[C@H]1CCN(Cc2cscn2)C1.
What is the InChIKey of 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is AEBUAOATWWGIDW-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10(2)5-11-3-4-14(6-11)7-12-8-15-9-13-12/h8-11H,3-7H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 224.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 97319043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).