2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid

C10H13N3O4S — CID 116696716

IUPAC2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)CNC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H13N3O4S/c1-2-3-11-7(14)4-12-8(15)9-13-6(5-18-9)10(16)17/h5H,2-4H2,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyOSIKVIUNIKUCIB-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.10
Rot. Bonds6

About 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696716) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696716
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCCCNC(=O)CNC(=O)c1nc(C(=O)O)cs1
InChIInChI=1S/C10H13N3O4S/c1-2-3-11-7(14)4-12-8(15)9-13-6(5-18-9)10(16)17/h5H,2-4H2,1H3,(H,11,14)(H,12,15)(H,16,17)
InChIKeyOSIKVIUNIKUCIB-UHFFFAOYSA-N
XLogP0.10
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(((Tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid
CID 10199046
Cobicistat metabolite M9.1
CID 69479782
Nsc143131
CID 10081356
2-(Aminomethyl)-1,3-thiazole-4-carboxylic acid
CID 422292
2-(2-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 15046418
2-(1-(((Tert-butoxy)carbonyl)amino)ethyl)-1,3-thiazole-4-carboxylic acid
CID 21634039
2-Carbamoyl-1,3-thiazole-4-carboxylic acid
CID 57487896
2-(2-Aminoethyl)-1,3-thiazole-4-carboxylic acid
CID 422293
2-(1-tert-Butoxycarbonylamino-3-methyl-butyl)-thiazole-4-carboxylic acid
CID 485039
2-(1-Amino-3-methyl-butyl)thiazole-4-carboxylic acid
CID 485050
4-Thiazolecarboxylic acid, 2-[(2-propen-1-ylamino)carbonyl]-
CID 50990524
2-(2-Aminoethyl)-1,3-thiazole-4-carboxylic acid dihydrochloride
CID 52983589

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696716) is 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid is CCCNC(=O)CNC(=O)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OSIKVIUNIKUCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-2-3-11-7(14)4-12-8(15)9-13-6(5-18-9)10(16)17/h5H,2-4H2,1H3,(H,11,14)(H,12,15)(H,16,17).
What are the key properties of 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).