5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid

C13H19N3O3S — CID 106697934

IUPAC5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCC(C)N2CCCC2)nc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8(16-5-3-4-6-16)7-14-13-15-10(12(18)19)11(20-13)9(2)17/h8H,3-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyULOLHIAIEBSRRX-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.94
Rot. Bonds6

About 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 106697934) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID106697934
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(NCC(C)N2CCCC2)nc1C(=O)O
InChIInChI=1S/C13H19N3O3S/c1-8(16-5-3-4-6-16)7-14-13-15-10(12(18)19)11(20-13)9(2)17/h8H,3-7H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyULOLHIAIEBSRRX-UHFFFAOYSA-N
XLogP1.94
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697057
5-acetyl-2-(piperidin-1-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697979
5-acetyl-2-[(2-methylcyclohexyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106697130
5-acetyl-2-(3-methylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697199
5-acetyl-2-(3-cyclopropylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 106698141
5-methyl-N-(2-piperidin-1-ylpropyl)-1,3,4-thiadiazol-2-amine
CID 65209322
5-acetyl-2-(2,4,4-trimethylpentan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 106697415
5-acetyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697908
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
5-acetyl-2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 106697309
2-(2-piperidin-1-ylpropylamino)-1,3-oxazole-4-carboxylic acid
CID 113377235
5-acetyl-2-(5,5,5-trifluoropentylamino)-1,3-thiazole-4-carboxylic acid
CID 106697954

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid (CID 106697934) is 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(NCC(C)N2CCCC2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ULOLHIAIEBSRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8(16-5-3-4-6-16)7-14-13-15-10(12(18)19)11(20-13)9(2)17/h8H,3-7H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(2-pyrrolidin-1-ylpropylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).