2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide

C14H13N3O3S — CID 115912145

IUPAC2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2ccc3sccc3c2=O)cc1C(=O)NN
InChIInChI=1S/C14H13N3O3S/c1-8-11(13(18)16-15)6-9(20-8)7-17-4-2-12-10(14(17)19)3-5-21-12/h2-6H,7,15H2,1H3,(H,16,18)
InChIKeyHFMLQLKBKXDDNE-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.62
Rot. Bonds3

About 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide

2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide (PubChem CID 115912145) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
PubChem CID115912145
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
SMILESCc1oc(Cn2ccc3sccc3c2=O)cc1C(=O)NN
InChIInChI=1S/C14H13N3O3S/c1-8-11(13(18)16-15)6-9(20-8)7-17-4-2-12-10(14(17)19)3-5-21-12/h2-6H,7,15H2,1H3,(H,16,18)
InChIKeyHFMLQLKBKXDDNE-UHFFFAOYSA-N
XLogP1.62
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylic acid
CID 115912019
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 55214458
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
5-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985492
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 66310867
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide (CID 115912145) is 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide is Cc1oc(Cn2ccc3sccc3c2=O)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide?
The InChIKey is HFMLQLKBKXDDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-8-11(13(18)16-15)6-9(20-8)7-17-4-2-12-10(14(17)19)3-5-21-12/h2-6H,7,15H2,1H3,(H,16,18).
What are the key properties of 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide has a molecular weight of 303.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 115912145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).