5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine

C22H26N6OS — CID 59524972

IUPAC5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(-c3cnc(N4CCC(OC5CCCC5)CC4)nc3)cc2)s1
InChIInChI=1S/C22H26N6OS/c23-21-27-26-20(30-21)16-7-5-15(6-8-16)17-13-24-22(25-14-17)28-11-9-19(10-12-28)29-18-3-1-2-4-18/h5-8,13-14,18-19H,1-4,9-12H2,(H2,23,27)
InChIKeyNVPGWMPKJNSXPI-UHFFFAOYSA-N
MW422.56 g/mol
LogP4.17
Rot. Bonds5

About 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine

5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 59524972) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID59524972
Molecular FormulaC22H26N6OS
Molecular Weight422.56 g/mol
Exact Mass422.19
IUPAC Name5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(-c3cnc(N4CCC(OC5CCCC5)CC4)nc3)cc2)s1
InChIInChI=1S/C22H26N6OS/c23-21-27-26-20(30-21)16-7-5-15(6-8-16)17-13-24-22(25-14-17)28-11-9-19(10-12-28)29-18-3-1-2-4-18/h5-8,13-14,18-19H,1-4,9-12H2,(H2,23,27)
InChIKeyNVPGWMPKJNSXPI-UHFFFAOYSA-N
XLogP4.17
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine (CID 59524972) is 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(-c3cnc(N4CCC(OC5CCCC5)CC4)nc3)cc2)s1.
What is the InChIKey of 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is NVPGWMPKJNSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c23-21-27-26-20(30-21)16-7-5-15(6-8-16)17-13-24-22(25-14-17)28-11-9-19(10-12-28)29-18-3-1-2-4-18/h5-8,13-14,18-19H,1-4,9-12H2,(H2,23,27).
What are the key properties of 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 422.56 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-cyclopentyloxypiperidin-1-yl)pyrimidin-5-yl]phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 59524972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).