6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

C20H20N4OS — CID 58707187

IUPAC6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccc(C4=NC(C)(C)CO4)s3)n2)c1
InChIInChI=1S/C20H20N4OS/c1-13-9-10-21-18(11-13)23-17-6-4-5-14(22-17)15-7-8-16(26-15)19-24-20(2,3)12-25-19/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyNVUSQXDKFLZXSL-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.81
Rot. Bonds4

About 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine

6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 58707187) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID58707187
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
SMILESCc1ccnc(Nc2cccc(-c3ccc(C4=NC(C)(C)CO4)s3)n2)c1
InChIInChI=1S/C20H20N4OS/c1-13-9-10-21-18(11-13)23-17-6-4-5-14(22-17)15-7-8-16(26-15)19-24-20(2,3)12-25-19/h4-11H,12H2,1-3H3,(H,21,22,23)
InChIKeyNVUSQXDKFLZXSL-UHFFFAOYSA-N
XLogP4.81
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine (CID 58707187) is 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is Cc1ccnc(Nc2cccc(-c3ccc(C4=NC(C)(C)CO4)s3)n2)c1.
What is the InChIKey of 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is NVUSQXDKFLZXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-9-10-21-18(11-13)23-17-6-4-5-14(22-17)15-7-8-16(26-15)19-24-20(2,3)12-25-19/h4-11H,12H2,1-3H3,(H,21,22,23).
What are the key properties of 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine?
6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 364.47 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thiophen-2-yl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 58707187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).