2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C14H22N4O3S — CID 126482426

IUPAC2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOC1(c2nc(C(=O)NN)c(N3CCOCC3)s2)CCC1
InChIInChI=1S/C14H22N4O3S/c1-2-21-14(4-3-5-14)13-16-10(11(19)17-15)12(22-13)18-6-8-20-9-7-18/h2-9,15H2,1H3,(H,17,19)
InChIKeyPYKVPLRRHNTEBE-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.00
Rot. Bonds5

About 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 126482426) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID126482426
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOC1(c2nc(C(=O)NN)c(N3CCOCC3)s2)CCC1
InChIInChI=1S/C14H22N4O3S/c1-2-21-14(4-3-5-14)13-16-10(11(19)17-15)12(22-13)18-6-8-20-9-7-18/h2-9,15H2,1H3,(H,17,19)
InChIKeyPYKVPLRRHNTEBE-UHFFFAOYSA-N
XLogP1.00
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 126482426) is 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CCOC1(c2nc(C(=O)NN)c(N3CCOCC3)s2)CCC1.
What is the InChIKey of 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is PYKVPLRRHNTEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-2-21-14(4-3-5-14)13-16-10(11(19)17-15)12(22-13)18-6-8-20-9-7-18/h2-9,15H2,1H3,(H,17,19).
What are the key properties of 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 326.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 126482426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).