5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C20H19N7OS — CID 66828316

IUPAC5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)s1
InChIInChI=1S/C20H19N7OS/c1-11-16(29-12(2)25-11)17-26-18(27-28-17)20(6-3-7-20)14-4-5-15(22-10-14)13-8-23-19(21)24-9-13/h4-5,8-10H,3,6-7H2,1-2H3,(H2,21,23,24)
InChIKeyUBKWOJYVTLEBRY-UHFFFAOYSA-N
MW405.49 g/mol
LogP3.71
Rot. Bonds4

About 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828316) has the molecular formula C20H19N7OS and a molecular weight of 405.49 g/mol. Its IUPAC name is 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828316
Molecular FormulaC20H19N7OS
Molecular Weight405.49 g/mol
Exact Mass405.14
IUPAC Name5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1nc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)s1
InChIInChI=1S/C20H19N7OS/c1-11-16(29-12(2)25-11)17-26-18(27-28-17)20(6-3-7-20)14-4-5-15(22-10-14)13-8-23-19(21)24-9-13/h4-5,8-10H,3,6-7H2,1-2H3,(H2,21,23,24)
InChIKeyUBKWOJYVTLEBRY-UHFFFAOYSA-N
XLogP3.71
TPSA116.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828316) is 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Cc1nc(C)c(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)s1.
What is the InChIKey of 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is UBKWOJYVTLEBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7OS/c1-11-16(29-12(2)25-11)17-26-18(27-28-17)20(6-3-7-20)14-4-5-15(22-10-14)13-8-23-19(21)24-9-13/h4-5,8-10H,3,6-7H2,1-2H3,(H2,21,23,24).
What are the key properties of 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 405.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).