4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C9H14N4O2S — CID 2113354

IUPAC4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NN
InChIInChI=1S/C9H14N4O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5,10H2,1H3,(H,12,14)
InChIKeySFOYVDNMMBLLAI-UHFFFAOYSA-N
MW242.30 g/mol
LogP-0.11
Rot. Bonds2

About 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 2113354) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID2113354
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NN
InChIInChI=1S/C9H14N4O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5,10H2,1H3,(H,12,14)
InChIKeySFOYVDNMMBLLAI-UHFFFAOYSA-N
XLogP-0.11
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 2113354) is 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NN.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is SFOYVDNMMBLLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-6-7(8(14)12-10)16-9(11-6)13-2-4-15-5-3-13/h2-5,10H2,1H3,(H,12,14).
What are the key properties of 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 242.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 2113354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).