6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione

C14H20N2S — CID 144797875

IUPAC6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione
SMILESC=C/C=C(/C)N(CC)c1cc(C)c(C)c(=S)[nH]1
InChIInChI=1S/C14H20N2S/c1-6-8-11(4)16(7-2)13-9-10(3)12(5)14(17)15-13/h6,8-9H,1,7H2,2-5H3,(H,15,17)/b11-8-
InChIKeyWIADXDAEOBOWRY-FLIBITNWSA-N
MW248.39 g/mol
LogP4.28
Rot. Bonds4

About 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione

6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione (PubChem CID 144797875) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione
PubChem CID144797875
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione
SMILESC=C/C=C(/C)N(CC)c1cc(C)c(C)c(=S)[nH]1
InChIInChI=1S/C14H20N2S/c1-6-8-11(4)16(7-2)13-9-10(3)12(5)14(17)15-13/h6,8-9H,1,7H2,2-5H3,(H,15,17)/b11-8-
InChIKeyWIADXDAEOBOWRY-FLIBITNWSA-N
XLogP4.28
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-buta-1,3-dien-2-yl-3-methyl-1H-imidazole-2-thione
CID 123854299
1-[(1E,3E)-3-[[(2E)-2-ethenylpenta-2,4-dienyl]amino]hexa-1,3,5-trienyl]-3-methylthiourea
CID 130413327
1,5-Dimethyl-6-(methylamino)-4-methylidene-3-propylpyrimidine-2-thione
CID 135268777
5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-3-propan-2-yl-1H-imidazole-2-thione
CID 143721268
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2H-imidazo[1,5-a]pyridine-3-thione
CID 143721282
3-[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]-1,1-dipropylthiourea
CID 155053625
N-(2-methyl-6-methylidenecyclohexa-1,3-dien-1-yl)pyrrolidine-1-carbothioamide
CID 164098694
3-[1-(diethylamino)ethenyl]-1H-pyridine-2-thione
CID 170637436
1-Ethyl-5-methyl-4-methylidenepyrimidine-2-thione
CID 174262685
1-but-1-en-2-yl-1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-methylthiourea
CID 145401235
3,5-bis[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-imidazole-2-thione
CID 163368828

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione?
The IUPAC name of 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione (CID 144797875) is 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione.
What is the SMILES notation for 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione?
The canonical SMILES for 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione is C=C/C=C(/C)N(CC)c1cc(C)c(C)c(=S)[nH]1.
What is the InChIKey of 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione?
The InChIKey is WIADXDAEOBOWRY-FLIBITNWSA-N. The full InChI is InChI=1S/C14H20N2S/c1-6-8-11(4)16(7-2)13-9-10(3)12(5)14(17)15-13/h6,8-9H,1,7H2,2-5H3,(H,15,17)/b11-8-.
What are the key properties of 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione?
6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione has a molecular weight of 248.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl-[(2Z)-penta-2,4-dien-2-yl]amino]-3,4-dimethyl-1H-pyridine-2-thione is sourced from PubChem (CID 144797875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).