N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide

C11H17N3O2S2 — CID 119900159

IUPACN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOC(C)c1nc(CNC(=O)C2CSCN2)cs1
InChIInChI=1S/C11H17N3O2S2/c1-7(16-2)11-14-8(4-18-11)3-12-10(15)9-5-17-6-13-9/h4,7,9,13H,3,5-6H2,1-2H3,(H,12,15)
InChIKeyYLZZXJRRWFDJAH-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.13
Rot. Bonds5

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

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119900159) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119900159
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC NameN-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
SMILESCOC(C)c1nc(CNC(=O)C2CSCN2)cs1
InChIInChI=1S/C11H17N3O2S2/c1-7(16-2)11-14-8(4-18-11)3-12-10(15)9-5-17-6-13-9/h4,7,9,13H,3,5-6H2,1-2H3,(H,12,15)
InChIKeyYLZZXJRRWFDJAH-UHFFFAOYSA-N
XLogP1.13
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119900133
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 103629888
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119841465
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 61016722
N-[(2-methylpyrimidin-4-yl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119299728
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
N-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793633
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide
CID 119900109
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119900108

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide (CID 119900159) is N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide is COC(C)c1nc(CNC(=O)C2CSCN2)cs1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is YLZZXJRRWFDJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-7(16-2)11-14-8(4-18-11)3-12-10(15)9-5-17-6-13-9/h4,7,9,13H,3,5-6H2,1-2H3,(H,12,15).
What are the key properties of N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide?
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119900159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).