N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

C18H20N4O4S — CID 24507331

IUPACN'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(Cc2ccco2)Cc2ccco2)n1
InChIInChI=1S/C18H20N4O4S/c1-13-12-27-18(19-13)8-16(23)20-21-17(24)11-22(9-14-4-2-6-25-14)10-15-5-3-7-26-15/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeySJEIQZUCIPOCGU-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.03
Rot. Bonds8

About N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide

N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (PubChem CID 24507331) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
PubChem CID24507331
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC NameN'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
SMILESCc1csc(CC(=O)NNC(=O)CN(Cc2ccco2)Cc2ccco2)n1
InChIInChI=1S/C18H20N4O4S/c1-13-12-27-18(19-13)8-16(23)20-21-17(24)11-22(9-14-4-2-6-25-14)10-15-5-3-7-26-15/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,24)
InChIKeySJEIQZUCIPOCGU-UHFFFAOYSA-N
XLogP2.03
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.03
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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Related Compounds

N'-[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432428
2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
N'-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 55432675
2-[bis(furan-2-ylmethyl)amino]-N-methylacetamide
CID 27118866
2-(4-methyl-1,3-thiazol-2-yl)-N'-[2-(N,2,4-trimethylanilino)acetyl]acetohydrazide
CID 78903075
N'-[2-[[(4-fluorophenyl)-phenylmethyl]-methylamino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 78840619
N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 54914183
2-[ethyl(furan-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47284425
2-[bis(furan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802685
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
N'-[2-[cyclopropyl(2-methylpropyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide
CID 43056222

Frequently Asked Questions

What is the IUPAC name of N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The IUPAC name of N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide (CID 24507331) is N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide.
What is the SMILES notation for N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The canonical SMILES for N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is Cc1csc(CC(=O)NNC(=O)CN(Cc2ccco2)Cc2ccco2)n1.
What is the InChIKey of N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
The InChIKey is SJEIQZUCIPOCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-13-12-27-18(19-13)8-16(23)20-21-17(24)11-22(9-14-4-2-6-25-14)10-15-5-3-7-26-15/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide?
N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide has a molecular weight of 388.45 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[bis(furan-2-ylmethyl)amino]acetyl]-2-(4-methyl-1,3-thiazol-2-yl)acetohydrazide is sourced from PubChem (CID 24507331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).