5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide

C12H11ClN4O3S — CID 24672631

IUPAC5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccoc2C)n1
InChIInChI=1S/C12H11ClN4O3S/c1-6-7(3-4-20-6)10(18)16-17-11(19)9-8(13)5-14-12(15-9)21-2/h3-5H,1-2H3,(H,16,18)(H,17,19)
InChIKeyUIEMRSXHUNCFJY-UHFFFAOYSA-N
MW326.77 g/mol
LogP1.83
Rot. Bonds3

About 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide

5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide (PubChem CID 24672631) has the molecular formula C12H11ClN4O3S and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
PubChem CID24672631
Molecular FormulaC12H11ClN4O3S
Molecular Weight326.77 g/mol
Exact Mass326.02
IUPAC Name5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide
SMILESCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccoc2C)n1
InChIInChI=1S/C12H11ClN4O3S/c1-6-7(3-4-20-6)10(18)16-17-11(19)9-8(13)5-14-12(15-9)21-2/h3-5H,1-2H3,(H,16,18)(H,17,19)
InChIKeyUIEMRSXHUNCFJY-UHFFFAOYSA-N
XLogP1.83
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The IUPAC name of 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide (CID 24672631) is 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide is CSc1ncc(Cl)c(C(=O)NNC(=O)c2ccoc2C)n1.
What is the InChIKey of 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
The InChIKey is UIEMRSXHUNCFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3S/c1-6-7(3-4-20-6)10(18)16-17-11(19)9-8(13)5-14-12(15-9)21-2/h3-5H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide?
5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide has a molecular weight of 326.77 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(2-methylfuran-3-carbonyl)-2-methylsulfanylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 24672631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).