2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid

C15H18N2O2S — CID 65335315

IUPAC2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cccnc3s2)CCCCC1
InChIInChI=1S/C15H18N2O2S/c18-13(19)10-15(6-2-1-3-7-15)9-12-17-11-5-4-8-16-14(11)20-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyVCFZIANIKCWQBE-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.66
Rot. Bonds4

About 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid

2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid (PubChem CID 65335315) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid
PubChem CID65335315
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid
SMILESO=C(O)CC1(Cc2nc3cccnc3s2)CCCCC1
InChIInChI=1S/C15H18N2O2S/c18-13(19)10-15(6-2-1-3-7-15)9-12-17-11-5-4-8-16-14(11)20-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19)
InChIKeyVCFZIANIKCWQBE-UHFFFAOYSA-N
XLogP3.66
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid (CID 65335315) is 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid is O=C(O)CC1(Cc2nc3cccnc3s2)CCCCC1.
What is the InChIKey of 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid?
The InChIKey is VCFZIANIKCWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13(19)10-15(6-2-1-3-7-15)9-12-17-11-5-4-8-16-14(11)20-12/h4-5,8H,1-3,6-7,9-10H2,(H,18,19).
What are the key properties of 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid?
2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid has a molecular weight of 290.39 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-([1,3]thiazolo[5,4-b]pyridin-2-ylmethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 65335315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).