1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one

C17H15N3OS — CID 156849232

IUPAC1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one
SMILESNc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1
InChIInChI=1S/C17H15N3OS/c18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21/h1-3,6-10,12H,4-5H2,(H2,18,19)
InChIKeyUBBSITSMVQXZSA-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.42
Rot. Bonds3

About 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one

1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one (PubChem CID 156849232) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one
PubChem CID156849232
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one
SMILESNc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1
InChIInChI=1S/C17H15N3OS/c18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21/h1-3,6-10,12H,4-5H2,(H2,18,19)
InChIKeyUBBSITSMVQXZSA-UHFFFAOYSA-N
XLogP3.42
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one?
The IUPAC name of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one (CID 156849232) is 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one.
What is the SMILES notation for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one?
The canonical SMILES for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one is Nc1nc(-c2ccc(-n3ccccc3=O)cc2)c(C2CC2)s1.
What is the InChIKey of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one?
The InChIKey is UBBSITSMVQXZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c18-17-19-15(16(22-17)12-4-5-12)11-6-8-13(9-7-11)20-10-2-1-3-14(20)21/h1-3,6-10,12H,4-5H2,(H2,18,19).
What are the key properties of 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one?
1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one has a molecular weight of 309.39 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-5-cyclopropyl-1,3-thiazol-4-yl)phenyl]pyridin-2-one is sourced from PubChem (CID 156849232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).