N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide

C14H19N3O5S — CID 76826786

IUPACN,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide
SMILESCCC(NC1=C(C(=O)N(C)C)S(=O)(=O)NC1=O)c1ccc(C)o1
InChIInChI=1S/C14H19N3O5S/c1-5-9(10-7-6-8(2)22-10)15-11-12(14(19)17(3)4)23(20,21)16-13(11)18/h6-7,9,15H,5H2,1-4H3,(H,16,18)
InChIKeyAGKMSFHTXMLKIV-UHFFFAOYSA-N
MW341.39 g/mol
LogP0.39
Rot. Bonds5

About N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide

N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide (PubChem CID 76826786) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide
PubChem CID76826786
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC NameN,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide
SMILESCCC(NC1=C(C(=O)N(C)C)S(=O)(=O)NC1=O)c1ccc(C)o1
InChIInChI=1S/C14H19N3O5S/c1-5-9(10-7-6-8(2)22-10)15-11-12(14(19)17(3)4)23(20,21)16-13(11)18/h6-7,9,15H,5H2,1-4H3,(H,16,18)
InChIKeyAGKMSFHTXMLKIV-UHFFFAOYSA-N
XLogP0.39
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide?
The IUPAC name of N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide (CID 76826786) is N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide is CCC(NC1=C(C(=O)N(C)C)S(=O)(=O)NC1=O)c1ccc(C)o1.
What is the InChIKey of N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide?
The InChIKey is AGKMSFHTXMLKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c1-5-9(10-7-6-8(2)22-10)15-11-12(14(19)17(3)4)23(20,21)16-13(11)18/h6-7,9,15H,5H2,1-4H3,(H,16,18).
What are the key properties of N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide?
N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(5-methylfuran-2-yl)propylamino]-1,1,3-trioxo-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 76826786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).