[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol

C12H17NOS — CID 66026940

IUPAC[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(Cc2cscn2)CC2CCC1C2
InChIInChI=1S/C12H17NOS/c14-7-12(5-11-6-15-8-13-11)4-9-1-2-10(12)3-9/h6,8-10,14H,1-5,7H2
InChIKeySDERIHBXMVHGQI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.48
Rot. Bonds3

About [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol

[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 66026940) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID66026940
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
SMILESOCC1(Cc2cscn2)CC2CCC1C2
InChIInChI=1S/C12H17NOS/c14-7-12(5-11-6-15-8-13-11)4-9-1-2-10(12)3-9/h6,8-10,14H,1-5,7H2
InChIKeySDERIHBXMVHGQI-UHFFFAOYSA-N
XLogP2.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026284
[2-(furan-2-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 66024942
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 105430374
[2-[(1-phenyltetrazol-5-yl)methyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026060
4-methyl-1-(1,3-thiazol-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 65395115
4-[(3-methylazetidin-3-yl)methyl]-1,3-thiazole
CID 79451924
[2-[2-(2-methylpyrazol-3-yl)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 103017855
[2-[2-(4-bromophenoxy)ethyl]-2-bicyclo[2.2.1]heptanyl]methanol
CID 66026056
[2-(2-bicyclo[2.2.1]heptanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 79550553
[2-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 54205638
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
2-(chloromethyl)-2-[(2,4-dichlorophenyl)methyl]bicyclo[2.2.1]heptane
CID 66033954

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol (CID 66026940) is [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol is OCC1(Cc2cscn2)CC2CCC1C2.
What is the InChIKey of [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is SDERIHBXMVHGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-7-12(5-11-6-15-8-13-11)4-9-1-2-10(12)3-9/h6,8-10,14H,1-5,7H2.
What are the key properties of [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol?
[2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 223.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 66026940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).