2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C20H28N4O2S — CID 71841743

IUPAC2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCCN(C(=O)c3cccn3C)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-14(2)18(25)21-9-8-16-13-27-19(22-16)15-6-4-11-24(12-15)20(26)17-7-5-10-23(17)3/h5,7,10,13-15H,4,6,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyGCPPKXPBVIXMPA-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.82
Rot. Bonds6

About 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide

2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841743) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841743
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCCN(C(=O)c3cccn3C)C2)n1
InChIInChI=1S/C20H28N4O2S/c1-14(2)18(25)21-9-8-16-13-27-19(22-16)15-6-4-11-24(12-15)20(26)17-7-5-10-23(17)3/h5,7,10,13-15H,4,6,8-9,11-12H2,1-3H3,(H,21,25)
InChIKeyGCPPKXPBVIXMPA-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841743) is 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CC(C)C(=O)NCCc1csc(C2CCCN(C(=O)c3cccn3C)C2)n1.
What is the InChIKey of 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is GCPPKXPBVIXMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-14(2)18(25)21-9-8-16-13-27-19(22-16)15-6-4-11-24(12-15)20(26)17-7-5-10-23(17)3/h5,7,10,13-15H,4,6,8-9,11-12H2,1-3H3,(H,21,25).
What are the key properties of 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 388.54 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).