2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C12H17N3O4S — CID 116696602

IUPAC2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C12H17N3O4S/c16-10(11-14-9(8-20-11)12(17)18)13-2-1-3-15-4-6-19-7-5-15/h8H,1-7H2,(H,13,16)(H,17,18)
InChIKeyZBIXUDYHVLFKJR-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.29
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696602) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696602
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C12H17N3O4S/c16-10(11-14-9(8-20-11)12(17)18)13-2-1-3-15-4-6-19-7-5-15/h8H,1-7H2,(H,13,16)(H,17,18)
InChIKeyZBIXUDYHVLFKJR-UHFFFAOYSA-N
XLogP0.29
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697423
4-methyl-N-(2-morpholin-4-ylethyl)-1,3-thiazole-2-carboxamide
CID 110696091
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114539271
2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyimino-N-(3-morpholin-4-ylpropyl)acetamide
CID 71965716
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
2-bromo-N-[(Z)-1-(3-morpholin-4-ylpropylamino)-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide
CID 170541836
2-[(4-methoxybenzoyl)amino]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 84555624
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
6-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 84573956
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696602) is 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZBIXUDYHVLFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c16-10(11-14-9(8-20-11)12(17)18)13-2-1-3-15-4-6-19-7-5-15/h8H,1-7H2,(H,13,16)(H,17,18).
What are the key properties of 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 299.35 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).