N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

C10H15N3O2S — CID 110742446

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CSCN2)o1
InChIInChI=1S/C10H15N3O2S/c1-6-9(15-7(2)13-6)3-11-10(14)8-4-16-5-12-8/h8,12H,3-5H2,1-2H3,(H,11,14)
InChIKeyOPXLTNQJEXPYLH-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.57
Rot. Bonds3

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110742446) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110742446
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C)c(CNC(=O)C2CSCN2)o1
InChIInChI=1S/C10H15N3O2S/c1-6-9(15-7(2)13-6)3-11-10(14)8-4-16-5-12-8/h8,12H,3-5H2,1-2H3,(H,11,14)
InChIKeyOPXLTNQJEXPYLH-UHFFFAOYSA-N
XLogP0.57
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119891916
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61015389
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
(4S)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 97014181
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61021789
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 106371148
N-[(4-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 114956035
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110742446) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(C)c(CNC(=O)C2CSCN2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is OPXLTNQJEXPYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-6-9(15-7(2)13-6)3-11-10(14)8-4-16-5-12-8/h8,12H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110742446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).