2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C17H24N4O2S — CID 78900845

IUPAC2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C17H24N4O2S/c1-10(2)8-14(16(23)18-5)20-15(22)13-9-11(3)21(12(13)4)17-19-6-7-24-17/h6-7,9-10,14H,8H2,1-5H3,(H,18,23)(H,20,22)
InChIKeyMYFYJTZWVZAPPZ-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.44
Rot. Bonds6

About 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 78900845) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID78900845
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C17H24N4O2S/c1-10(2)8-14(16(23)18-5)20-15(22)13-9-11(3)21(12(13)4)17-19-6-7-24-17/h6-7,9-10,14H,8H2,1-5H3,(H,18,23)(H,20,22)
InChIKeyMYFYJTZWVZAPPZ-UHFFFAOYSA-N
XLogP2.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 78900845) is 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1cc(C)n(-c2nccs2)c1C.
What is the InChIKey of 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is MYFYJTZWVZAPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-10(2)8-14(16(23)18-5)20-15(22)13-9-11(3)21(12(13)4)17-19-6-7-24-17/h6-7,9-10,14H,8H2,1-5H3,(H,18,23)(H,20,22).
What are the key properties of 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 78900845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).