2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C12H15N3O5S — CID 116697423

IUPAC2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H15N3O5S/c16-9(15-3-5-20-6-4-15)1-2-13-10(17)11-14-8(7-21-11)12(18)19/h7H,1-6H2,(H,13,17)(H,18,19)
InChIKeyUHBJZSWCHRJEJC-UHFFFAOYSA-N
MW313.33 g/mol
LogP-0.18
Rot. Bonds5

About 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116697423) has the molecular formula C12H15N3O5S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116697423
Molecular FormulaC12H15N3O5S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C12H15N3O5S/c16-9(15-3-5-20-6-4-15)1-2-13-10(17)11-14-8(7-21-11)12(18)19/h7H,1-6H2,(H,13,17)(H,18,19)
InChIKeyUHBJZSWCHRJEJC-UHFFFAOYSA-N
XLogP-0.18
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-morpholin-4-ylpropylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696602
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
N-(3-morpholin-4-yl-3-oxopropyl)quinoline-2-carboxamide
CID 46598471
2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
2-[(1,4-oxazepane-4-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379791
2-[[(E)-pent-3-enyl]carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697444
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445
N-(3-morpholin-4-yl-3-oxopropyl)-2-phenylacetamide
CID 29418767
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975

Frequently Asked Questions

What is the IUPAC name of 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116697423) is 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UHBJZSWCHRJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c16-9(15-3-5-20-6-4-15)1-2-13-10(17)11-14-8(7-21-11)12(18)19/h7H,1-6H2,(H,13,17)(H,18,19).
What are the key properties of 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 313.33 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116697423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).