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

C12H19N3O2S — CID 119900133

IUPAC(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOC(C)c1nc(CNC(=O)[C@@H]2CCCN2)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(17-2)12-15-9(7-18-12)6-14-11(16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,16)/t8?,10-/m0/s1
InChIKeyOVTHZFDTXDJVDB-HTLJXXAVSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds5

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

(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119900133) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119900133
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOC(C)c1nc(CNC(=O)[C@@H]2CCCN2)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(17-2)12-15-9(7-18-12)6-14-11(16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,16)/t8?,10-/m0/s1
InChIKeyOVTHZFDTXDJVDB-HTLJXXAVSA-N
XLogP1.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119900159
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119900153
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
(2R)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119869426
methyl 2-[(pyrrolidine-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylate
CID 110461420
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
(2R,4R)-4-hydroxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 124682967
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
N-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897337
3-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]butanamide;dihydrochloride
CID 119900150
(2R)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119839231

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 119900133) is (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide is COC(C)c1nc(CNC(=O)[C@@H]2CCCN2)cs1.
What is the InChIKey of (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is OVTHZFDTXDJVDB-HTLJXXAVSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(17-2)12-15-9(7-18-12)6-14-11(16)10-4-3-5-13-10/h7-8,10,13H,3-6H2,1-2H3,(H,14,16)/t8?,10-/m0/s1.
What are the key properties of (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119900133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).