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

C11H19N3O2S — CID 106627305

IUPACN-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(CC1CCCCN1)C(=O)C1CSC(=O)N1
InChIInChI=1S/C11H19N3O2S/c1-14(6-8-4-2-3-5-12-8)10(15)9-7-17-11(16)13-9/h8-9,12H,2-7H2,1H3,(H,13,16)
InChIKeyUFVIANPGAFKSBQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.41
Rot. Bonds3

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

N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 106627305) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID106627305
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCN(CC1CCCCN1)C(=O)C1CSC(=O)N1
InChIInChI=1S/C11H19N3O2S/c1-14(6-8-4-2-3-5-12-8)10(15)9-7-17-11(16)13-9/h8-9,12H,2-7H2,1H3,(H,13,16)
InChIKeyUFVIANPGAFKSBQ-UHFFFAOYSA-N
XLogP0.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.41
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-cyclopropyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 106626889
N-methyl-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106627526
2-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]acetic acid
CID 43211125
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
N-(2-aminoethyl)-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 62686799
2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 106607375
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
N-[(4-bromophenyl)methyl]-N-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 60864977
methyl 2-methyl-3-[methyl-(2-oxo-1,3-thiazolidine-4-carbonyl)amino]propanoate
CID 55008549
N-(cyclopropylmethyl)-N-methylazepane-2-carboxamide
CID 64563812

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 106627305) is N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is CN(CC1CCCCN1)C(=O)C1CSC(=O)N1.
What is the InChIKey of N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is UFVIANPGAFKSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(6-8-4-2-3-5-12-8)10(15)9-7-17-11(16)13-9/h8-9,12H,2-7H2,1H3,(H,13,16).
What are the key properties of N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide?
N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(piperidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 106627305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).