5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C21H27N5O3S2 — CID 59698878

IUPAC5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cs2)s1
InChIInChI=1S/C21H27N5O3S2/c1-15-4-5-17(31-15)20(29)23-21-22-16(14-30-21)12-18(27)26-10-8-24(9-11-26)13-19(28)25-6-2-3-7-25/h4-5,14H,2-3,6-13H2,1H3,(H,22,23,29)
InChIKeyHVIAGTKGNHRIRD-UHFFFAOYSA-N
MW461.61 g/mol
LogP2.07
Rot. Bonds6

About 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 59698878) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID59698878
Molecular FormulaC21H27N5O3S2
Molecular Weight461.61 g/mol
Exact Mass461.16
IUPAC Name5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cs2)s1
InChIInChI=1S/C21H27N5O3S2/c1-15-4-5-17(31-15)20(29)23-21-22-16(14-30-21)12-18(27)26-10-8-24(9-11-26)13-19(28)25-6-2-3-7-25/h4-5,14H,2-3,6-13H2,1H3,(H,22,23,29)
InChIKeyHVIAGTKGNHRIRD-UHFFFAOYSA-N
XLogP2.07
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 59698878) is 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is Cc1ccc(C(=O)Nc2nc(CC(=O)N3CCN(CC(=O)N4CCCC4)CC3)cs2)s1.
What is the InChIKey of 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is HVIAGTKGNHRIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c1-15-4-5-17(31-15)20(29)23-21-22-16(14-30-21)12-18(27)26-10-8-24(9-11-26)13-19(28)25-6-2-3-7-25/h4-5,14H,2-3,6-13H2,1H3,(H,22,23,29).
What are the key properties of 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 461.61 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59698878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).