3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

C19H35N3O3S — CID 42748097

IUPAC3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCCCN2CCOCC2)N1C(=O)C(C)C
InChIInChI=1S/C19H35N3O3S/c1-14(2)12-17-22(19(24)15(3)4)16(13-26-17)18(23)20-6-5-7-21-8-10-25-11-9-21/h14-17H,5-13H2,1-4H3,(H,20,23)
InChIKeyXJTLNLYHJBRAEW-UHFFFAOYSA-N
MW385.57 g/mol
LogP1.80
Rot. Bonds8

About 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide

3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42748097) has the molecular formula C19H35N3O3S and a molecular weight of 385.57 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42748097
Molecular FormulaC19H35N3O3S
Molecular Weight385.57 g/mol
Exact Mass385.24
IUPAC Name3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCCCN2CCOCC2)N1C(=O)C(C)C
InChIInChI=1S/C19H35N3O3S/c1-14(2)12-17-22(19(24)15(3)4)16(13-26-17)18(23)20-6-5-7-21-8-10-25-11-9-21/h14-17H,5-13H2,1-4H3,(H,20,23)
InChIKeyXJTLNLYHJBRAEW-UHFFFAOYSA-N
XLogP1.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.57
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenyl)-3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748611
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
3-(cyclopropanecarbonyl)-N-(2-morpholin-4-ylethyl)-2-propyl-1,3-thiazolidine-4-carboxamide
CID 42748474
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
N-butyl-3-(4-chlorobenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748224
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 95778134
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108911004
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42748097) is 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCCCN2CCOCC2)N1C(=O)C(C)C.
What is the InChIKey of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XJTLNLYHJBRAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3S/c1-14(2)12-17-22(19(24)15(3)4)16(13-26-17)18(23)20-6-5-7-21-8-10-25-11-9-21/h14-17H,5-13H2,1-4H3,(H,20,23).
What are the key properties of 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 385.57 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-2-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42748097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).