N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

C16H15N3O4S — CID 31826746

IUPACN'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2csc(-c3ccco3)n2)c(C)o1
InChIInChI=1S/C16H15N3O4S/c1-9-6-12(10(2)23-9)15(21)19-18-14(20)7-11-8-24-16(17-11)13-4-3-5-22-13/h3-6,8H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIMCIFYWJLDQDPU-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.62
Rot. Bonds4

About N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide

N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 31826746) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID31826746
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC NameN'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cc2csc(-c3ccco3)n2)c(C)o1
InChIInChI=1S/C16H15N3O4S/c1-9-6-12(10(2)23-9)15(21)19-18-14(20)7-11-8-24-16(17-11)13-4-3-5-22-13/h3-6,8H,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIMCIFYWJLDQDPU-UHFFFAOYSA-N
XLogP2.62
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.62
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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Related Compounds

2,5-dimethyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]furan-3-carbohydrazide
CID 51205140
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2-naphthalen-1-ylacetohydrazide
CID 32702744
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 31669164
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47026275
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 46578282
(2S)-3-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-2-hydroxypropanoic acid
CID 107833521
(2R)-2-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 80748324
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121123601
methyl 2,4-difluoro-5-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 24666831

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide (CID 31826746) is N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cc2csc(-c3ccco3)n2)c(C)o1.
What is the InChIKey of N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is IMCIFYWJLDQDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-9-6-12(10(2)23-9)15(21)19-18-14(20)7-11-8-24-16(17-11)13-4-3-5-22-13/h3-6,8H,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 345.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 31826746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).