3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid

C13H19N3O3S — CID 79402732

IUPAC3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCC2CCNCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-11(13(18)19)12(20-16-8)15-10(17)3-2-9-4-6-14-7-5-9/h9,14H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyATQXTUWETWVFMR-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.87
Rot. Bonds5

About 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 79402732) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID79402732
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)CCC2CCNCC2)c1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8-11(13(18)19)12(20-16-8)15-10(17)3-2-9-4-6-14-7-5-9/h9,14H,2-7H2,1H3,(H,15,17)(H,18,19)
InChIKeyATQXTUWETWVFMR-UHFFFAOYSA-N
XLogP1.87
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
3-methyl-5-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60868642
3-methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
3-methyl-5-[2-(4-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylic acid
CID 79402530
5-(3-cyclopentylpropylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 114137408
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
3-methyl-5-[(2-methylpiperidine-4-carbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106740296
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 79402107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid (CID 79402732) is 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)CCC2CCNCC2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is ATQXTUWETWVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-11(13(18)19)12(20-16-8)15-10(17)3-2-9-4-6-14-7-5-9/h9,14H,2-7H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-piperidin-4-ylpropanoylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).