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

C12H19N3O2S — CID 111428219

IUPAC2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1csc(C(C)NC(=O)N2CCCC2CO)n1
InChIInChI=1S/C12H19N3O2S/c1-8-7-18-11(13-8)9(2)14-12(17)15-5-3-4-10(15)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyAUVYQEGTBRTLGB-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.68
Rot. Bonds3

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

2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 111428219) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID111428219
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide
SMILESCc1csc(C(C)NC(=O)N2CCCC2CO)n1
InChIInChI=1S/C12H19N3O2S/c1-8-7-18-11(13-8)9(2)14-12(17)15-5-3-4-10(15)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,14,17)
InChIKeyAUVYQEGTBRTLGB-UHFFFAOYSA-N
XLogP1.68
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(hydroxymethyl)-N-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-1-carboxamide
CID 111507028
(2R)-N-[(S)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96565673
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111630900
1-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438858
2-[1-[(2-methylpiperidine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373887
N-[1-(2,4-difluorophenyl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427674
N-[1-(1-benzofuran-2-yl)ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427777
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
(2S)-N-[(1S)-1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97342036

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide (CID 111428219) is 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide is Cc1csc(C(C)NC(=O)N2CCCC2CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is AUVYQEGTBRTLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8-7-18-11(13-8)9(2)14-12(17)15-5-3-4-10(15)6-16/h7,9-10,16H,3-6H2,1-2H3,(H,14,17).
What are the key properties of 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide?
2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111428219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).