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

C20H24ClN5O3S2 — CID 42643120

IUPAC5-chloro-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)s1
InChIInChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29)
InChIKeyAUIIGMITYOISJV-UHFFFAOYSA-N
MW482.03 g/mol
LogP2.42
Rot. Bonds6

About 5-chloro-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-chloro-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 42643120) has the molecular formula C20H24ClN5O3S2 and a molecular weight of 482.03 g/mol. Its IUPAC name is 5-chloro-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-chloro-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 CID42643120
Molecular FormulaC20H24ClN5O3S2
Molecular Weight482.03 g/mol
Exact Mass481.10
IUPAC Name5-chloro-N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)s1
InChIInChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29)
InChIKeyAUIIGMITYOISJV-UHFFFAOYSA-N
XLogP2.42
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-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-chloro-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-chloro-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 42643120) is 5-chloro-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-chloro-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-chloro-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 O=C(Nc1nc(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cs1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-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 AUIIGMITYOISJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O3S2/c21-16-4-3-15(31-16)19(29)23-20-22-14(13-30-20)11-17(27)26-9-7-24(8-10-26)12-18(28)25-5-1-2-6-25/h3-4,13H,1-2,5-12H2,(H,22,23,29).
What are the key properties of 5-chloro-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-chloro-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 482.03 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-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 42643120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).