N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

C10H18N2O3S — CID 106101660

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CSCN1
InChIInChI=1S/C10H18N2O3S/c1-7-10(14,2-3-15-7)5-11-9(13)8-4-16-6-12-8/h7-8,12,14H,2-6H2,1H3,(H,11,13)
InChIKeyWIKBSGYJTMYHGR-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.69
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 106101660) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID106101660
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CSCN1
InChIInChI=1S/C10H18N2O3S/c1-7-10(14,2-3-15-7)5-11-9(13)8-4-16-6-12-8/h7-8,12,14H,2-6H2,1H3,(H,11,13)
InChIKeyWIKBSGYJTMYHGR-UHFFFAOYSA-N
XLogP-0.69
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 106101637
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 106101672
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 107301644
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 105417283
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861113
(4S)-N-(oxan-4-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 119290243

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 106101660) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is CC1OCCC1(O)CNC(=O)C1CSCN1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is WIKBSGYJTMYHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-7-10(14,2-3-15-7)5-11-9(13)8-4-16-6-12-8/h7-8,12,14H,2-6H2,1H3,(H,11,13).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 106101660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).