4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid

C11H15N3O3S — CID 54986265

IUPAC4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCNC(=O)C1CCCN1Cc1csc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-12-9(15)8-3-2-4-14(8)5-7-6-18-10(13-7)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyFEENZSMQTPOPBC-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.55
Rot. Bonds4

About 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid

4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 54986265) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID54986265
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid
SMILESCNC(=O)C1CCCN1Cc1csc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3S/c1-12-9(15)8-3-2-4-14(8)5-7-6-18-10(13-7)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17)
InChIKeyFEENZSMQTPOPBC-UHFFFAOYSA-N
XLogP0.55
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 63578585
4-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 60973649
(2R)-1-[[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 95292660
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
4-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylmorpholine-3-carboxamide
CID 83105768
4-[(2-ethylazepan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104690534
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
4-(azetidin-1-ylmethyl)-1,3-thiazole-2-carboxylic acid
CID 130547609
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylic acid
CID 43441270
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 103056191
1-[[2-(hydrazinecarbonyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 103198388

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid (CID 54986265) is 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid is CNC(=O)C1CCCN1Cc1csc(C(=O)O)n1.
What is the InChIKey of 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is FEENZSMQTPOPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-12-9(15)8-3-2-4-14(8)5-7-6-18-10(13-7)11(16)17/h6,8H,2-5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid?
4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylcarbamoyl)pyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 54986265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).