5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole

C10H13NS — CID 174682957

IUPAC5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole
SMILESC1=NCC(=C2CC3CCC2C3)S1
InChIInChI=1S/C10H13NS/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h6-8H,1-5H2
InChIKeyRZCVCEDNXODWNB-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.84
Rot. Bonds

About 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole

5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole (PubChem CID 174682957) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole
PubChem CID174682957
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole
SMILESC1=NCC(=C2CC3CCC2C3)S1
InChIInChI=1S/C10H13NS/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h6-8H,1-5H2
InChIKeyRZCVCEDNXODWNB-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tricyclo[6.2.1.02,6]undec-2(6)-ene
CID 12898252
(1S,4R)-2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 96842588
2-propan-2-ylidenebicyclo[2.2.1]heptane
CID 12648921
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 135034885
2-ethenylidenebicyclo[2.2.1]heptane
CID 21311745
tricyclo[4.4.1.02,4]undec-2(4)-ene
CID 123898174
2-butylidenebicyclo[2.2.1]heptane
CID 548869
2-(2-bicyclo[3.3.1]nonanylidene)bicyclo[3.3.1]nonane
CID 54344742
2-(2,2,2-trifluoroethylidene)bicyclo[2.2.1]heptane
CID 175890138
(1R,5S)-3-azabicyclo[3.2.1]octan-2-one
CID 14813870
3-(oxomethylidene)bicyclo[3.2.1]octan-2-one
CID 91554267
2-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]propanedinitrile
CID 11062657

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole (CID 174682957) is 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole is C1=NCC(=C2CC3CCC2C3)S1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole?
The InChIKey is RZCVCEDNXODWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-2-8-3-7(1)4-9(8)10-5-11-6-12-10/h6-8H,1-5H2.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole?
5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole has a molecular weight of 179.29 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylidene)-4H-1,3-thiazole is sourced from PubChem (CID 174682957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).