2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide

C22H30N4OS — CID 28909504

IUPAC2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide
SMILESCCN1CCN(C2(C(=O)N(C)Cc3nc(C)cs3)Cc3ccccc3C2)CC1
InChIInChI=1S/C22H30N4OS/c1-4-25-9-11-26(12-10-25)22(13-18-7-5-6-8-19(18)14-22)21(27)24(3)15-20-23-17(2)16-28-20/h5-8,16H,4,9-15H2,1-3H3
InChIKeyAYVKYVFMXDPIQB-UHFFFAOYSA-N
MW398.58 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide

2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide (PubChem CID 28909504) has the molecular formula C22H30N4OS and a molecular weight of 398.58 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide
PubChem CID28909504
Molecular FormulaC22H30N4OS
Molecular Weight398.58 g/mol
Exact Mass398.21
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide
SMILESCCN1CCN(C2(C(=O)N(C)Cc3nc(C)cs3)Cc3ccccc3C2)CC1
InChIInChI=1S/C22H30N4OS/c1-4-25-9-11-26(12-10-25)22(13-18-7-5-6-8-19(18)14-22)21(27)24(3)15-20-23-17(2)16-28-20/h5-8,16H,4,9-15H2,1-3H3
InChIKeyAYVKYVFMXDPIQB-UHFFFAOYSA-N
XLogP2.59
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.58
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide (CID 28909504) is 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide is CCN1CCN(C2(C(=O)N(C)Cc3nc(C)cs3)Cc3ccccc3C2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide?
The InChIKey is AYVKYVFMXDPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4OS/c1-4-25-9-11-26(12-10-25)22(13-18-7-5-6-8-19(18)14-22)21(27)24(3)15-20-23-17(2)16-28-20/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide has a molecular weight of 398.58 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 28909504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).