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

C15H27N3O3S — CID 4305390

IUPAC3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H27N3O3S/c1-12(2)15(20)18-11-22-10-13(18)14(19)16-4-3-5-17-6-8-21-9-7-17/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyUSHJRXZORLJRLF-UHFFFAOYSA-N
MW329.47 g/mol
LogP0.38
Rot. Bonds6

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

3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4305390) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4305390
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Name3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)C(=O)N1CSCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H27N3O3S/c1-12(2)15(20)18-11-22-10-13(18)14(19)16-4-3-5-17-6-8-21-9-7-17/h12-13H,3-11H2,1-2H3,(H,16,19)
InChIKeyUSHJRXZORLJRLF-UHFFFAOYSA-N
XLogP0.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 50.38
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

3-methyl-4-(3-morpholin-4-ylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383077
4-(2-methoxyethyl)-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383072
2-(2-Methyl-1,3-thiazolidin-4-yl)-1-morpholin-4-ylethanone
CID 138454900
4-Methoxy-8-acetyl-7,7-dimethyl-6-thia-3,8-diazabicyclo[3.2.1]octan-2-one
CID 12792378
4-(1,3-Thiazolidine-4-carbonyl)morpholine
CID 20074032
N-(1-morpholin-4-ylpropan-2-yl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 45823733
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
2-acetyl-N-(2-propoxyethyl)-1,3-thiazolidine-4-carboxamide
CID 59766517
(2R)-2-amino-3-ethylsulfanyl-1-morpholin-4-ylpropan-1-one
CID 69154222
Ethyl 3-acetyl-4-[(2-ethoxy-2-oxoethyl)carbamoyl]-2-methyl-1,3-thiazolidine-2-carboxylate
CID 89508756
ethyl 3-acetyl-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-methyl-1,3-thiazolidine-2-carboxylate
CID 89508757
Ethyl 3-acetyl-4-[(2-methoxy-2-oxoethyl)carbamoyl]-2-methyl-1,3-thiazolidine-2-carboxylate
CID 89508762

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide (CID 4305390) is 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)C(=O)N1CSCC1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is USHJRXZORLJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-12(2)15(20)18-11-22-10-13(18)14(19)16-4-3-5-17-6-8-21-9-7-17/h12-13H,3-11H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide?
3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4305390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).