N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H16N4O3S — CID 39903421

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN1CCc2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C1
InChIInChI=1S/C16H16N4O3S/c1-19-7-6-10-13(8-19)24-15(17-10)18-14(21)9-20-11-4-2-3-5-12(11)23-16(20)22/h2-5H,6-9H2,1H3,(H,17,18,21)
InChIKeySXLLKQREDFRHJX-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.68
Rot. Bonds3

About N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 39903421) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID39903421
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN1CCc2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C1
InChIInChI=1S/C16H16N4O3S/c1-19-7-6-10-13(8-19)24-15(17-10)18-14(21)9-20-11-4-2-3-5-12(11)23-16(20)22/h2-5H,6-9H2,1H3,(H,17,18,21)
InChIKeySXLLKQREDFRHJX-UHFFFAOYSA-N
XLogP1.68
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 39903421) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CN1CCc2nc(NC(=O)Cn3c(=O)oc4ccccc43)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SXLLKQREDFRHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-19-7-6-10-13(8-19)24-15(17-10)18-14(21)9-20-11-4-2-3-5-12(11)23-16(20)22/h2-5H,6-9H2,1H3,(H,17,18,21).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 39903421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).