2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide

C14H19N5O4S2 — CID 18120612

IUPAC2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H19N5O4S2/c20-11(1-2-19-5-8-24-14(19)22)16-17-12(21)10-9-25-13(15-10)18-3-6-23-7-4-18/h9H,1-8H2,(H,16,20)(H,17,21)
InChIKeyPSWZWVHCOCEJKS-UHFFFAOYSA-N
MW385.47 g/mol
LogP0.30
Rot. Bonds5

About 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide

2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide (PubChem CID 18120612) has the molecular formula C14H19N5O4S2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
PubChem CID18120612
Molecular FormulaC14H19N5O4S2
Molecular Weight385.47 g/mol
Exact Mass385.09
IUPAC Name2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
SMILESO=C(CCN1CCSC1=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C14H19N5O4S2/c20-11(1-2-19-5-8-24-14(19)22)16-17-12(21)10-9-25-13(15-10)18-3-6-23-7-4-18/h9H,1-8H2,(H,16,20)(H,17,21)
InChIKeyPSWZWVHCOCEJKS-UHFFFAOYSA-N
XLogP0.30
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
N'-[3-(2,4-dimethylphenyl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 41452787
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 18120613
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
N'-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 55454987
N'-[2-(3-fluorophenoxy)acetyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 9344100

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide (CID 18120612) is 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide is O=C(CCN1CCSC1=O)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide?
The InChIKey is PSWZWVHCOCEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O4S2/c20-11(1-2-19-5-8-24-14(19)22)16-17-12(21)10-9-25-13(15-10)18-3-6-23-7-4-18/h9H,1-8H2,(H,16,20)(H,17,21).
What are the key properties of 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 385.47 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 18120612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).