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

C11H16N4O2S — CID 137355568

IUPAC2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C11H16N4O2S/c12-14-9(16)8-11(15-3-5-17-6-4-15)18-10(13-8)7-1-2-7/h7H,1-6,12H2,(H,14,16)
InChIKeyXYLRUGDXZJACLP-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.46
Rot. Bonds3

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

2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 137355568) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID137355568
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESNNC(=O)c1nc(C2CC2)sc1N1CCOCC1
InChIInChI=1S/C11H16N4O2S/c12-14-9(16)8-11(15-3-5-17-6-4-15)18-10(13-8)7-1-2-7/h7H,1-6,12H2,(H,14,16)
InChIKeyXYLRUGDXZJACLP-UHFFFAOYSA-N
XLogP0.46
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.46
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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Related Compounds

5-(3-Oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 126482666
tert-butyl N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482727
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 172695787
2-(1-Ethoxycyclobutyl)-5-morpholinothiazole-4-carbohydrazide
CID 126482426
tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482675
ethyl N-tert-butyl-N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482836
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057
2-Methyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 161101698
4-Methyl-2-(morpholin-4-ylmethyl)-1,3-thiazole-5-carbohydrazide
CID 82427551
4-Methyl-2-(2-morpholin-4-ylethyl)-1,3-thiazole-5-carbohydrazide
CID 82427752

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 137355568) is 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is NNC(=O)c1nc(C2CC2)sc1N1CCOCC1.
What is the InChIKey of 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is XYLRUGDXZJACLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c12-14-9(16)8-11(15-3-5-17-6-4-15)18-10(13-8)7-1-2-7/h7H,1-6,12H2,(H,14,16).
What are the key properties of 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 268.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 137355568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).