(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C13H16N4OS — CID 53499231

IUPAC(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCCc1nnsc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C13H16N4OS/c1-4-10-12(19-16-15-10)13(18)17-8-6-5-7-11(17)14-9(2)3/h5-9H,4H2,1-3H3/b14-11+
InChIKeyXZQFVSOFTINQRU-SDNWHVSQSA-N
MW276.37 g/mol
LogP1.90
Rot. Bonds3

About (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 53499231) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID53499231
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCCc1nnsc1C(=O)n1cccc/c1=N\C(C)C
InChIInChI=1S/C13H16N4OS/c1-4-10-12(19-16-15-10)13(18)17-8-6-5-7-11(17)14-9(2)3/h5-9H,4H2,1-3H3/b14-11+
InChIKeyXZQFVSOFTINQRU-SDNWHVSQSA-N
XLogP1.90
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-2-(4-methyl-1,2,3-thiadiazole-5-carbonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632560
8-chloro-2-(4-propyl-1,2,3-thiadiazole-5-carbonyl)-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632488
2-[[4-(4-Ethylthiadiazole-5-carbonyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42951703
4-ethyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 128966381
4-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129007411
4-ethyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129473453
4-ethyl-N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129473454
4-ethyl-N-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129476266
4-ethyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]thiadiazole-5-carboxamide
CID 129476267
(2-Cyclohexylimino-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone
CID 133885742
(2-Cyclohexylimino-4-methyl-1-pyridinyl)-(4-ethylthiadiazol-5-yl)methanone
CID 134026934
N-[2-(6-Hydroxy-2-methylpyrimidin-4-YL)ethyl]-4-propyl-1,2,3-thiadiazole-5-carboxamide
CID 136662021

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 53499231) is (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CCc1nnsc1C(=O)n1cccc/c1=N\C(C)C.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is XZQFVSOFTINQRU-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-4-10-12(19-16-15-10)13(18)17-8-6-5-7-11(17)14-9(2)3/h5-9H,4H2,1-3H3/b14-11+.
What are the key properties of (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 276.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 53499231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).