2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide

C12H17N3O3S — CID 141096442

IUPAC2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(CCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c13-12(17)9-8-14-10(19-9)2-1-3-11(16)15-4-6-18-7-5-15/h8H,1-7H2,(H2,13,17)
InChIKeyCYEOBNMUQOGHEN-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.42
Rot. Bonds5

About 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide

2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide (PubChem CID 141096442) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide
PubChem CID141096442
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(CCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C12H17N3O3S/c13-12(17)9-8-14-10(19-9)2-1-3-11(16)15-4-6-18-7-5-15/h8H,1-7H2,(H2,13,17)
InChIKeyCYEOBNMUQOGHEN-UHFFFAOYSA-N
XLogP0.42
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide (CID 141096442) is 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(CCCC(=O)N2CCOCC2)s1.
What is the InChIKey of 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CYEOBNMUQOGHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-12(17)9-8-14-10(19-9)2-1-3-11(16)15-4-6-18-7-5-15/h8H,1-7H2,(H2,13,17).
What are the key properties of 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide?
2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-4-oxobutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141096442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).