N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide

C13H26N4OS — CID 119902496

IUPACN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CNC(=O)C1CSCN1)CN1CCN(C)CC1
InChIInChI=1S/C13H26N4OS/c1-11(8-17-5-3-16(2)4-6-17)7-14-13(18)12-9-19-10-15-12/h11-12,15H,3-10H2,1-2H3,(H,14,18)
InChIKeyNJFVAKYKDCHSDE-UHFFFAOYSA-N
MW286.45 g/mol
LogP-0.35
Rot. Bonds5

About N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide

N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119902496) has the molecular formula C13H26N4OS and a molecular weight of 286.45 g/mol. Its IUPAC name is N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119902496
Molecular FormulaC13H26N4OS
Molecular Weight286.45 g/mol
Exact Mass286.18
IUPAC NameN-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(CNC(=O)C1CSCN1)CN1CCN(C)CC1
InChIInChI=1S/C13H26N4OS/c1-11(8-17-5-3-16(2)4-6-17)7-14-13(18)12-9-19-10-15-12/h11-12,15H,3-10H2,1-2H3,(H,14,18)
InChIKeyNJFVAKYKDCHSDE-UHFFFAOYSA-N
XLogP-0.35
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide (CID 119902496) is N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide is CC(CNC(=O)C1CSCN1)CN1CCN(C)CC1.
What is the InChIKey of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NJFVAKYKDCHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-11(8-17-5-3-16(2)4-6-17)7-14-13(18)12-9-19-10-15-12/h11-12,15H,3-10H2,1-2H3,(H,14,18).
What are the key properties of N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide?
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 286.45 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119902496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).