6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile

C14H15N5O2S — CID 135498945

IUPAC6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile
SMILESCCCc1nnc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)s1
InChIInChI=1S/C14H15N5O2S/c1-4-5-11-17-18-14(22-11)16-7-10-8(2)9(6-15)12(20)19(3)13(10)21/h7,21H,4-5H2,1-3H3/b16-7+
InChIKeyFNKFWPFTEKVYDX-FRKPEAEDSA-N
MW317.37 g/mol
LogP1.83
Rot. Bonds4

About 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile (PubChem CID 135498945) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile
PubChem CID135498945
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile
SMILESCCCc1nnc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)s1
InChIInChI=1S/C14H15N5O2S/c1-4-5-11-17-18-14(22-11)16-7-10-8(2)9(6-15)12(20)19(3)13(10)21/h7,21H,4-5H2,1-3H3/b16-7+
InChIKeyFNKFWPFTEKVYDX-FRKPEAEDSA-N
XLogP1.83
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile (CID 135498945) is 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile is CCCc1nnc(/N=C/c2c(C)c(C#N)c(=O)n(C)c2O)s1.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile?
The InChIKey is FNKFWPFTEKVYDX-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-4-5-11-17-18-14(22-11)16-7-10-8(2)9(6-15)12(20)19(3)13(10)21/h7,21H,4-5H2,1-3H3/b16-7+.
What are the key properties of 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile has a molecular weight of 317.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-2-oxo-5-[(E)-(5-propyl-1,3,4-thiadiazol-2-yl)iminomethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135498945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).