N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C12H16N4O3S — CID 17439911

IUPACN'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O3S/c17-10(8-1-2-8)14-15-11(18)9-7-20-12(13-9)16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18)
InChIKeyWRIQCBUZMRKTON-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.15
Rot. Bonds3

About N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 17439911) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID17439911
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)C1CC1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C12H16N4O3S/c17-10(8-1-2-8)14-15-11(18)9-7-20-12(13-9)16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18)
InChIKeyWRIQCBUZMRKTON-UHFFFAOYSA-N
XLogP0.15
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 17439911) is N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)C1CC1)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is WRIQCBUZMRKTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c17-10(8-1-2-8)14-15-11(18)9-7-20-12(13-9)16-3-5-19-6-4-16/h7-8H,1-6H2,(H,14,17)(H,15,18).
What are the key properties of N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 296.35 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 17439911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).