1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol

C14H22N2OS — CID 63685736

IUPAC1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)CC2CC3CCC2C3)s1
InChIInChI=1S/C14H22N2OS/c1-9(17)13-7-15-14(18-13)16(2)8-12-6-10-3-4-11(12)5-10/h7,9-12,17H,3-6,8H2,1-2H3
InChIKeyJDZFTWRQUKJVAK-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.07
Rot. Bonds4

About 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol

1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol (PubChem CID 63685736) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
PubChem CID63685736
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol
SMILESCC(O)c1cnc(N(C)CC2CC3CCC2C3)s1
InChIInChI=1S/C14H22N2OS/c1-9(17)13-7-15-14(18-13)16(2)8-12-6-10-3-4-11(12)5-10/h7,9-12,17H,3-6,8H2,1-2H3
InChIKeyJDZFTWRQUKJVAK-UHFFFAOYSA-N
XLogP3.07
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol (CID 63685736) is 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol is CC(O)c1cnc(N(C)CC2CC3CCC2C3)s1.
What is the InChIKey of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol?
The InChIKey is JDZFTWRQUKJVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9(17)13-7-15-14(18-13)16(2)8-12-6-10-3-4-11(12)5-10/h7,9-12,17H,3-6,8H2,1-2H3.
What are the key properties of 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol?
1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol has a molecular weight of 266.41 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 63685736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).