(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone

C17H22N4OS — CID 134026934

IUPAC(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)n1ccc(C)c/c1=N\C1CCCCC1
InChIInChI=1S/C17H22N4OS/c1-3-14-16(23-20-19-14)17(22)21-10-9-12(2)11-15(21)18-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b18-15+
InChIKeyFOFXIXGCYRSCKW-OBGWFSINSA-N
MW330.46 g/mol
LogP3.13
Rot. Bonds3

About (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone

(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 134026934) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone
PubChem CID134026934
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)n1ccc(C)c/c1=N\C1CCCCC1
InChIInChI=1S/C17H22N4OS/c1-3-14-16(23-20-19-14)17(22)21-10-9-12(2)11-15(21)18-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b18-15+
InChIKeyFOFXIXGCYRSCKW-OBGWFSINSA-N
XLogP3.13
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone (CID 134026934) is (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)n1ccc(C)c/c1=N\C1CCCCC1.
What is the InChIKey of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is FOFXIXGCYRSCKW-OBGWFSINSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-3-14-16(23-20-19-14)17(22)21-10-9-12(2)11-15(21)18-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3/b18-15+.
What are the key properties of (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone?
(2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 330.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 134026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).