4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C20H26N4O4S — CID 55462805

IUPAC4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C20H26N4O4S/c1-12-11-15(12)16-5-3-14(28-16)4-6-17(25)22-23-19(26)18-13(2)21-20(29-18)24-7-9-27-10-8-24/h3,5,12,15H,4,6-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDQRGMKFOKGNOPI-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.40
Rot. Bonds6

About 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 55462805) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID55462805
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccc(C2CC2C)o1
InChIInChI=1S/C20H26N4O4S/c1-12-11-15(12)16-5-3-14(28-16)4-6-17(25)22-23-19(26)18-13(2)21-20(29-18)24-7-9-27-10-8-24/h3,5,12,15H,4,6-11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDQRGMKFOKGNOPI-UHFFFAOYSA-N
XLogP2.40
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 55462805) is 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1ccc(C2CC2C)o1.
What is the InChIKey of 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is DQRGMKFOKGNOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-12-11-15(12)16-5-3-14(28-16)4-6-17(25)22-23-19(26)18-13(2)21-20(29-18)24-7-9-27-10-8-24/h3,5,12,15H,4,6-11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 418.52 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).