2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten

C9H13N2SW- — CID 59496771

IUPAC2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
SMILES[CH2-]N1CCC(c2nccs2)CC1.[W]
InChIInChI=1S/C9H13N2S.W/c1-11-5-2-8(3-6-11)9-10-4-7-12-9;/h4,7-8H,1-3,5-6H2;/q-1;
InChIKeyNQEXOMVNBGQNPV-UHFFFAOYSA-N
MW365.12 g/mol
LogP2.11
Rot. Bonds1

About 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten

2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten (PubChem CID 59496771) has the molecular formula C9H13N2SW- and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten.

Molecular Properties

Compound Name2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
PubChem CID59496771
Molecular FormulaC9H13N2SW-
Molecular Weight365.12 g/mol
Exact Mass365.03
IUPAC Name2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
SMILES[CH2-]N1CCC(c2nccs2)CC1.[W]
InChIInChI=1S/C9H13N2S.W/c1-11-5-2-8(3-6-11)9-10-4-7-12-9;/h4,7-8H,1-3,5-6H2;/q-1;
InChIKeyNQEXOMVNBGQNPV-UHFFFAOYSA-N
XLogP2.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
CID 170533293
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole
CID 141162301
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
CID 170777895
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)-1,3-thiazole
CID 91601557
[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
CID 158523431
5-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903108
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
CID 150389360

Frequently Asked Questions

What is the IUPAC name of 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten?
The IUPAC name of 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten (CID 59496771) is 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten.
What is the SMILES notation for 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten?
The canonical SMILES for 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten is [CH2-]N1CCC(c2nccs2)CC1.[W].
What is the InChIKey of 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten?
The InChIKey is NQEXOMVNBGQNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2S.W/c1-11-5-2-8(3-6-11)9-10-4-7-12-9;/h4,7-8H,1-3,5-6H2;/q-1;.
What are the key properties of 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten?
2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten has a molecular weight of 365.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten is sourced from PubChem (CID 59496771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).