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

C9H15N3O3S — CID 103548516

IUPACN-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2COCCN2)CS1
InChIInChI=1S/C9H15N3O3S/c13-8(7-5-16-9(14)12-7)11-3-6-4-15-2-1-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14)
InChIKeyGQTWHSHVXKTPDL-UHFFFAOYSA-N
MW245.30 g/mol
LogP-1.08
Rot. Bonds3

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

N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 103548516) has the molecular formula C9H15N3O3S and a molecular weight of 245.30 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID103548516
Molecular FormulaC9H15N3O3S
Molecular Weight245.30 g/mol
Exact Mass245.08
IUPAC NameN-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCC2COCCN2)CS1
InChIInChI=1S/C9H15N3O3S/c13-8(7-5-16-9(14)12-7)11-3-6-4-15-2-1-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14)
InChIKeyGQTWHSHVXKTPDL-UHFFFAOYSA-N
XLogP-1.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(pyrrolidin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 62541103
N-(cyclopropylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 130977762
2,2,3,3-tetramethyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548670
2-methyl-N-(morpholin-3-ylmethyl)cyclopropane-1-carboxamide
CID 103548262
morpholin-3-ylmethylurea
CID 103548775
2-cyclopropyl-N-(morpholin-3-ylmethyl)acetamide
CID 103548657
1-ethyl-3-(morpholin-3-ylmethyl)urea
CID 103548754
N-(morpholin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxamide
CID 103548549
2-methyl-N-[[(3S)-morpholin-3-yl]methyl]propanamide
CID 166764726
1-(morpholin-3-ylmethyl)-3-(oxolan-3-yl)urea
CID 103548783
N-[(1-hydroxycyclobutyl)methyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 115668887
5-methyl-N-(morpholin-3-ylmethyl)oxolane-3-carboxamide
CID 103548749

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 103548516) is N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCC2COCCN2)CS1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is GQTWHSHVXKTPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3S/c13-8(7-5-16-9(14)12-7)11-3-6-4-15-2-1-10-6/h6-7,10H,1-5H2,(H,11,13)(H,12,14).
What are the key properties of N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 245.30 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 103548516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).