[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone

C10H14N2O2S — CID 138014978

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC[C@H]2CO)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-9(11-7)10(14)12-4-2-3-8(12)5-13/h6,8,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyYAGGYMLBSPACQN-QMMMGPOBSA-N
MW226.30 g/mol
LogP1.05
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 138014978) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID138014978
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC[C@H]2CO)n1
InChIInChI=1S/C10H14N2O2S/c1-7-6-15-9(11-7)10(14)12-4-2-3-8(12)5-13/h6,8,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyYAGGYMLBSPACQN-QMMMGPOBSA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone 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 [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone (CID 138014978) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)N2CCC[C@H]2CO)n1.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is YAGGYMLBSPACQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-7-6-15-9(11-7)10(14)12-4-2-3-8(12)5-13/h6,8,13H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 138014978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).