N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

C20H20N8OS — CID 73231019

IUPACN-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1cc(Nc2nccs2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1
InChIInChI=1S/C20H20N8OS/c1-2-13-11-17(26-20-23-8-10-30-20)25-19(24-13)28-9-3-5-15(28)16-12-14(27-29-16)18-21-6-4-7-22-18/h4,6-8,10-12,15H,2-3,5,9H2,1H3,(H,23,24,25,26)
InChIKeyALMYSPZQWKDJLD-UHFFFAOYSA-N
MW420.50 g/mol
LogP4.03
Rot. Bonds6

About N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine

N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 73231019) has the molecular formula C20H20N8OS and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID73231019
Molecular FormulaC20H20N8OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC NameN-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCCc1cc(Nc2nccs2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1
InChIInChI=1S/C20H20N8OS/c1-2-13-11-17(26-20-23-8-10-30-20)25-19(24-13)28-9-3-5-15(28)16-12-14(27-29-16)18-21-6-4-7-22-18/h4,6-8,10-12,15H,2-3,5,9H2,1H3,(H,23,24,25,26)
InChIKeyALMYSPZQWKDJLD-UHFFFAOYSA-N
XLogP4.03
TPSA105.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 73231019) is N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is CCc1cc(Nc2nccs2)nc(N2CCCC2c2cc(-c3ncccn3)no2)n1.
What is the InChIKey of N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is ALMYSPZQWKDJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8OS/c1-2-13-11-17(26-20-23-8-10-30-20)25-19(24-13)28-9-3-5-15(28)16-12-14(27-29-16)18-21-6-4-7-22-18/h4,6-8,10-12,15H,2-3,5,9H2,1H3,(H,23,24,25,26).
What are the key properties of N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine?
N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 420.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-2-[2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 73231019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).