N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C21H41N3O2S — CID 42748094

IUPACN-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1CSC(CC(C)C)N1C(=O)C(C)C
InChIInChI=1S/C21H41N3O2S/c1-8-23(9-2)12-10-11-17(7)22-20(25)18-14-27-19(13-15(3)4)24(18)21(26)16(5)6/h15-19H,8-14H2,1-7H3,(H,22,25)
InChIKeyACPUGYDCEPLIOL-UHFFFAOYSA-N
MW399.65 g/mol
LogP3.59
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748094) has the molecular formula C21H41N3O2S and a molecular weight of 399.65 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748094
Molecular FormulaC21H41N3O2S
Molecular Weight399.65 g/mol
Exact Mass399.29
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)C1CSC(CC(C)C)N1C(=O)C(C)C
InChIInChI=1S/C21H41N3O2S/c1-8-23(9-2)12-10-11-17(7)22-20(25)18-14-27-19(13-15(3)4)24(18)21(26)16(5)6/h15-19H,8-14H2,1-7H3,(H,22,25)
InChIKeyACPUGYDCEPLIOL-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748094) is N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CCN(CC)CCCC(C)NC(=O)C1CSC(CC(C)C)N1C(=O)C(C)C.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is ACPUGYDCEPLIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O2S/c1-8-23(9-2)12-10-11-17(7)22-20(25)18-14-27-19(13-15(3)4)24(18)21(26)16(5)6/h15-19H,8-14H2,1-7H3,(H,22,25).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 399.65 g/mol, XLogP of 3.59, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).