5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione

C11H17N3S2 — CID 63683769

IUPAC5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCN(CC1CC2CCC1C2)c1n[nH]c(=S)s1
InChIInChI=1S/C11H17N3S2/c1-14(10-12-13-11(15)16-10)6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyKZOTXLMEIAAODQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.07
Rot. Bonds3

About 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione

5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 63683769) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Name5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione
PubChem CID63683769
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione
SMILESCN(CC1CC2CCC1C2)c1n[nH]c(=S)s1
InChIInChI=1S/C11H17N3S2/c1-14(10-12-13-11(15)16-10)6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,13,15)
InChIKeyKZOTXLMEIAAODQ-UHFFFAOYSA-N
XLogP3.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione with MolForge

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Related Compounds

[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 63686849
N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63684827
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]ethanol
CID 64544614
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
CID 63685736
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(methoxymethyl)-N-methyl-1,3-thiazol-2-amine
CID 107510406
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-(chloromethyl)-N-methylpyridin-4-amine
CID 81233921
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyrazin-2-yl]methanol
CID 107372861
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodo-N-methylpyrimidin-2-amine
CID 116648985
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methylpyridine-2,4-diamine
CID 63684121
[5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-dimethylpyrazol-4-yl]methanol
CID 55233427
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-4-N-methylpyridine-3,4-diamine
CID 103518149

Frequently Asked Questions

What is the IUPAC name of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione (CID 63683769) is 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione is CN(CC1CC2CCC1C2)c1n[nH]c(=S)s1.
What is the InChIKey of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is KZOTXLMEIAAODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-14(10-12-13-11(15)16-10)6-9-5-7-2-3-8(9)4-7/h7-9H,2-6H2,1H3,(H,13,15).
What are the key properties of 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione?
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 255.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 63683769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).