2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide

C11H13Cl2N3O3S — CID 167286220

IUPAC2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)C(=O)CCC(C)NC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2N3O3S/c1-5(3-4-6(17)9(18)14-2)15-10(19)7-8(12)16-11(13)20-7/h5H,3-4H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyMQYHGTPRVKOORT-UHFFFAOYSA-N
MW338.22 g/mol
LogP1.66
Rot. Bonds6

About 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide

2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 167286220) has the molecular formula C11H13Cl2N3O3S and a molecular weight of 338.22 g/mol. Its IUPAC name is 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID167286220
Molecular FormulaC11H13Cl2N3O3S
Molecular Weight338.22 g/mol
Exact Mass337.01
IUPAC Name2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)C(=O)CCC(C)NC(=O)c1sc(Cl)nc1Cl
InChIInChI=1S/C11H13Cl2N3O3S/c1-5(3-4-6(17)9(18)14-2)15-10(19)7-8(12)16-11(13)20-7/h5H,3-4H2,1-2H3,(H,14,18)(H,15,19)
InChIKeyMQYHGTPRVKOORT-UHFFFAOYSA-N
XLogP1.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide (CID 167286220) is 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide is CNC(=O)C(=O)CCC(C)NC(=O)c1sc(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is MQYHGTPRVKOORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O3S/c1-5(3-4-6(17)9(18)14-2)15-10(19)7-8(12)16-11(13)20-7/h5H,3-4H2,1-2H3,(H,14,18)(H,15,19).
What are the key properties of 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide?
2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 338.22 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[6-(methylamino)-5,6-dioxohexan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167286220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).