N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

C13H21N3O2S — CID 106626889

IUPACN-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CC2CCCCN2)C2CC2)CS1
InChIInChI=1S/C13H21N3O2S/c17-12(11-8-19-13(18)15-11)16(10-4-5-10)7-9-3-1-2-6-14-9/h9-11,14H,1-8H2,(H,15,18)
InChIKeyUDGUHKSYPUIVPZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.94
Rot. Bonds4

About N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide

N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 106626889) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID106626889
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)N(CC2CCCCN2)C2CC2)CS1
InChIInChI=1S/C13H21N3O2S/c17-12(11-8-19-13(18)15-11)16(10-4-5-10)7-9-3-1-2-6-14-9/h9-11,14H,1-8H2,(H,15,18)
InChIKeyUDGUHKSYPUIVPZ-UHFFFAOYSA-N
XLogP0.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106627305
2-[cyclopentyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 60826938
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 128964538
1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-dihydroimidazole-4-carboxamide
CID 106626866
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-cyclopropyl-N-(piperidin-2-ylmethyl)-2H-tetrazole-5-carboxamide
CID 106626973
N-methyl-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106627526

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 106626889) is N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)N(CC2CCCCN2)C2CC2)CS1.
What is the InChIKey of N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UDGUHKSYPUIVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c17-12(11-8-19-13(18)15-11)16(10-4-5-10)7-9-3-1-2-6-14-9/h9-11,14H,1-8H2,(H,15,18).
What are the key properties of N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 106626889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).