ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 11780127

IUPACethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC[C@H]2CO)s1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(15)9-6-12-11(17-9)13-5-3-4-8(13)7-14/h6,8,14H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyDHAOHWDNDMSQHA-QMMMGPOBSA-N
MW256.33 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate

ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate (PubChem CID 11780127) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
PubChem CID11780127
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(N2CCC[C@H]2CO)s1
InChIInChI=1S/C11H16N2O3S/c1-2-16-10(15)9-6-12-11(17-9)13-5-3-4-8(13)7-14/h6,8,14H,2-5,7H2,1H3/t8-/m0/s1
InChIKeyDHAOHWDNDMSQHA-QMMMGPOBSA-N
XLogP1.28
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate 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

methyl 2-[(2S,4R)-2-(difluoromethoxymethyl)-4-(trifluoromethylsulfonyloxy)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774374
methyl 2-[(2S,4R)-2-(difluoromethoxymethyl)-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774383
methyl 2-[(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 156774464
Ethyl 2-[4,4-difluoro-3-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 167830900
2-[2-(Hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117085250
Ethyl 2-(dibutylamino)-1,3-thiazole-5-carboxylate
CID 10880622
ethyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-thiazole-5-carboxylate
CID 11086431
ethyl 2-(methyl(tetrahydro-2H-pyran-2-yl)amino)thiazole-5-carboxylate
CID 59408763
Ethyl 2-(4-methyl-2-oxo-3-propylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 67000960
Ethyl 2-[4-methyl-3-(oxan-2-ylmethyl)-2-oxoimidazolidin-1-yl]-1,3-thiazole-5-carboxylate
CID 67001388
Ethyl 2-(4-methyl-2-oxo-3-pentylimidazolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 67001403
Methyl 2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxylate
CID 68452743

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate (CID 11780127) is ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(N2CCC[C@H]2CO)s1.
What is the InChIKey of ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is DHAOHWDNDMSQHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-2-16-10(15)9-6-12-11(17-9)13-5-3-4-8(13)7-14/h6,8,14H,2-5,7H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11780127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).