4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one

C10H13NOS — CID 130640818

IUPAC4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CC3CCC2C3)cs1
InChIInChI=1S/C10H13NOS/c12-10-11-9(5-13-10)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,11,12)
InChIKeyKCBAXWXQYCCSCO-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.34
Rot. Bonds1

About 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one

4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one (PubChem CID 130640818) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one
PubChem CID130640818
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(C2CC3CCC2C3)cs1
InChIInChI=1S/C10H13NOS/c12-10-11-9(5-13-10)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,11,12)
InChIKeyKCBAXWXQYCCSCO-UHFFFAOYSA-N
XLogP2.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
(1R,2S,4R)-2-cyclopenta-1,3-dien-1-ylbicyclo[2.2.1]heptane
CID 102279327
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2-[(2S)-2-bicyclo[2.2.1]heptanyl]-5-bromo-1H-imidazole
CID 159126211
2-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethyl-1H-imidazol-5-one
CID 106953288
1-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120580472
(1R)-1-[2-(2-bicyclo[2.2.1]heptanyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431749
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
4-[4-(2-bicyclo[2.2.1]heptanyl)-1,3-thiazol-2-yl]morpholine
CID 166218622
2-bicyclo[2.2.1]heptanyl-(3-bromothiophen-2-yl)methanone
CID 80534940

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one (CID 130640818) is 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one is O=c1[nH]c(C2CC3CCC2C3)cs1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one?
The InChIKey is KCBAXWXQYCCSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c12-10-11-9(5-13-10)8-4-6-1-2-7(8)3-6/h5-8H,1-4H2,(H,11,12).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one?
4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one has a molecular weight of 195.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 130640818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).