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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Related Compounds

1-Pentanone, 2-amino-3-methyl-1-(3-thiazolidinyl)-, (2S,3S)-
CID 6918465
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one
CID 9883487
(2S,3S)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647689
(S)-2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one; hydrochloride
CID 11990640
(2S)-aminobutyryl-L-proline 3-methylthiopropylamide
CID 11666411
(2S,3R)-3-methyl-1-oxo-1-(1,3-thiazolidin-3-yl)pentan-2-aminium
CID 23647690
2-Amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one
CID 9794235
(4S)-2-cyclohexyl-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399919
(4S)-2-dodecyl-N-octadecyl-1,3-thiazolidine-4-carboxamide
CID 44399774
H-D-Thz-Leu-Gly-NH2
CID 90675113
(2S)-2-[4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9877970
(2S)-2-[(4R)-4-(methylsulfanylmethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 11436159

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).