N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide

C20H30N2O2S — CID 42744403

IUPACN-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccccc1
InChIInChI=1S/C20H30N2O2S/c1-4-5-11-18(23)22-17(19(24)21-13-12-15(2)3)14-25-20(22)16-9-7-6-8-10-16/h6-10,15,17,20H,4-5,11-14H2,1-3H3,(H,21,24)
InChIKeyKGILWZNRXPGQIQ-UHFFFAOYSA-N
MW362.54 g/mol
LogP3.98
Rot. Bonds8

About N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide

N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide (PubChem CID 42744403) has the molecular formula C20H30N2O2S and a molecular weight of 362.54 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
PubChem CID42744403
Molecular FormulaC20H30N2O2S
Molecular Weight362.54 g/mol
Exact Mass362.20
IUPAC NameN-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide
SMILESCCCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccccc1
InChIInChI=1S/C20H30N2O2S/c1-4-5-11-18(23)22-17(19(24)21-13-12-15(2)3)14-25-20(22)16-9-7-6-8-10-16/h6-10,15,17,20H,4-5,11-14H2,1-3H3,(H,21,24)
InChIKeyKGILWZNRXPGQIQ-UHFFFAOYSA-N
XLogP3.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butanoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748586
butyl (2S,4R)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 7296605
3-benzoyl-2-(3-fluorophenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42748298
2-methylpropyl (2R,4R)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809693
2-methylpropyl (2R,4S)-3-butanoyl-2-phenyl-1,3-thiazolidine-4-carboxylate
CID 809690
3-acetyl-2-(furan-3-yl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744972
(2R,4S)-N-(2-methoxyethyl)-3-(2-methylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxamide
CID 7412355
3-(4-methoxybenzoyl)-2-phenyl-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42744343
3-acetyl-2-(3,4-dimethoxyphenyl)-N-(3-methylbutyl)-1,3-thiazolidine-4-carboxamide
CID 42744705
(2S,4S)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362578
(2S,4R)-2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-pentyl-1,3-thiazolidine-4-carboxamide
CID 7362577
2-(furan-3-yl)-N-(3-methylbutyl)-3-(thiophene-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 5033600

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide (CID 42744403) is N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide is CCCCC(=O)N1C(C(=O)NCCC(C)C)CSC1c1ccccc1.
What is the InChIKey of N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is KGILWZNRXPGQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2S/c1-4-5-11-18(23)22-17(19(24)21-13-12-15(2)3)14-25-20(22)16-9-7-6-8-10-16/h6-10,15,17,20H,4-5,11-14H2,1-3H3,(H,21,24).
What are the key properties of N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide?
N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 362.54 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-pentanoyl-2-phenyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).