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

C23H21N5O4S2 — CID 36757551

IUPACN'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H21N5O4S2/c1-14-18(34-23(24-14)28-9-12-31-13-10-28)20(29)26-27-21(30)19-17(15-6-3-2-4-7-15)25-22(33-19)16-8-5-11-32-16/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyHXVDALUPOFAMNY-UHFFFAOYSA-N
MW495.59 g/mol
LogP3.75
Rot. Bonds5

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

N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 36757551) has the molecular formula C23H21N5O4S2 and a molecular weight of 495.59 g/mol. Its IUPAC name is N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID36757551
Molecular FormulaC23H21N5O4S2
Molecular Weight495.59 g/mol
Exact Mass495.10
IUPAC NameN'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H21N5O4S2/c1-14-18(34-23(24-14)28-9-12-31-13-10-28)20(29)26-27-21(30)19-17(15-6-3-2-4-7-15)25-22(33-19)16-8-5-11-32-16/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30)
InChIKeyHXVDALUPOFAMNY-UHFFFAOYSA-N
XLogP3.75
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089
4-methyl-2-morpholin-4-yl-N'-(2-phenylbutanoyl)-1,3-thiazole-5-carbohydrazide
CID 46532195
1-benzyl-3-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]thiourea
CID 8768518
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255

Frequently Asked Questions

What is the IUPAC name of N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 36757551) is N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HXVDALUPOFAMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4S2/c1-14-18(34-23(24-14)28-9-12-31-13-10-28)20(29)26-27-21(30)19-17(15-6-3-2-4-7-15)25-22(33-19)16-8-5-11-32-16/h2-8,11H,9-10,12-13H2,1H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 495.59 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 36757551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).