formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

C13H21N3O3S — CID 154912238

IUPACformic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCNC(=O)CC1CCN(Cc2nc(C)cs2)C1.O=CO
InChIInChI=1S/C12H19N3OS.CH2O2/c1-9-8-17-12(14-9)7-15-4-3-10(6-15)5-11(16)13-2;2-1-3/h8,10H,3-7H2,1-2H3,(H,13,16);1H,(H,2,3)
InChIKeyGOTLTWLILGSMHO-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.11
Rot. Bonds4

About formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide

formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 154912238) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Nameformic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID154912238
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Nameformic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide
SMILESCNC(=O)CC1CCN(Cc2nc(C)cs2)C1.O=CO
InChIInChI=1S/C12H19N3OS.CH2O2/c1-9-8-17-12(14-9)7-15-4-3-10(6-15)5-11(16)13-2;2-1-3/h8,10H,3-7H2,1-2H3,(H,13,16);1H,(H,2,3)
InChIKeyGOTLTWLILGSMHO-UHFFFAOYSA-N
XLogP1.11
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 111758207
N-methyl-2-[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]acetamide
CID 131936977
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
CID 115314298
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
2-[(1S,3aR,7aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 97475380
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
2-(1-methylpiperidin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110754699
[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone
CID 124800795
1-propan-2-yl-3-[[(3S)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methyl]urea
CID 95194130
2-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 131942096
2-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-4-tert-butyl-1,3-thiazole
CID 80690042
(3R,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 133138539

Frequently Asked Questions

What is the IUPAC name of formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide (CID 154912238) is formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is CNC(=O)CC1CCN(Cc2nc(C)cs2)C1.O=CO.
What is the InChIKey of formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is GOTLTWLILGSMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS.CH2O2/c1-9-8-17-12(14-9)7-15-4-3-10(6-15)5-11(16)13-2;2-1-3/h8,10H,3-7H2,1-2H3,(H,13,16);1H,(H,2,3).
What are the key properties of formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide?
formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-methyl-2-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 154912238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).