7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one

C18H18N2OS — CID 134229039

IUPAC7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1csc2cc(C(N)C3CC3)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C18H18N2OS/c1-11-10-22-15-9-14(17(19)13-7-8-13)16(18(21)20(11)15)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,19H2,1H3
InChIKeyYHDIMRXFFUTROJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.75
Rot. Bonds3

About 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one

7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one (PubChem CID 134229039) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
PubChem CID134229039
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one
SMILESCc1csc2cc(C(N)C3CC3)c(-c3ccccc3)c(=O)n12
InChIInChI=1S/C18H18N2OS/c1-11-10-22-15-9-14(17(19)13-7-8-13)16(18(21)20(11)15)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,19H2,1H3
InChIKeyYHDIMRXFFUTROJ-UHFFFAOYSA-N
XLogP3.75
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The IUPAC name of 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one (CID 134229039) is 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The canonical SMILES for 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one is Cc1csc2cc(C(N)C3CC3)c(-c3ccccc3)c(=O)n12.
What is the InChIKey of 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
The InChIKey is YHDIMRXFFUTROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-11-10-22-15-9-14(17(19)13-7-8-13)16(18(21)20(11)15)12-5-3-2-4-6-12/h2-6,9-10,13,17H,7-8,19H2,1H3.
What are the key properties of 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one?
7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one has a molecular weight of 310.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(cyclopropyl)methyl]-3-methyl-6-phenyl-[1,3]thiazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 134229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).