1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione

C14H18N4OS — CID 57180301

IUPAC1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione
SMILESCN1CCCC(c2ncn(Cc3ccco3)c(=S)n2)C1
InChIInChI=1S/C14H18N4OS/c1-17-6-2-4-11(8-17)13-15-10-18(14(20)16-13)9-12-5-3-7-19-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyBBGDWUVWNSOIEN-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.46
Rot. Bonds3

About 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione

1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione (PubChem CID 57180301) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione
PubChem CID57180301
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione
SMILESCN1CCCC(c2ncn(Cc3ccco3)c(=S)n2)C1
InChIInChI=1S/C14H18N4OS/c1-17-6-2-4-11(8-17)13-15-10-18(14(20)16-13)9-12-5-3-7-19-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3
InChIKeyBBGDWUVWNSOIEN-UHFFFAOYSA-N
XLogP2.46
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
4-methyl-2-(1-methylpiperidin-3-yl)pyrimidine
CID 122609712
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 72893838
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
1-[[(3R)-1-ethylpiperidin-3-yl]methyl]-4-(furan-2-ylmethyl)piperazine
CID 124842615
(3R)-1-(furan-2-ylmethyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 125437302
3-(3H-benzimidazol-5-yl)-5-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 97444360
1-(furan-2-ylmethyl)-3-(2-methylpropyl)piperidine
CID 169242230
(3S)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970113
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione (CID 57180301) is 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione is CN1CCCC(c2ncn(Cc3ccco3)c(=S)n2)C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione?
The InChIKey is BBGDWUVWNSOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-17-6-2-4-11(8-17)13-15-10-18(14(20)16-13)9-12-5-3-7-19-12/h3,5,7,10-11H,2,4,6,8-9H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione?
1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione has a molecular weight of 290.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione is sourced from PubChem (CID 57180301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).