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

C16H15N5O2S — CID 27161442

IUPACN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN1CCc2nc(NC(=O)c3n[nH]c(=O)c4ccccc34)sc2C1
InChIInChI=1S/C16H15N5O2S/c1-21-7-6-11-12(8-21)24-16(17-11)18-15(23)13-9-4-2-3-5-10(9)14(22)20-19-13/h2-5H,6-8H2,1H3,(H,20,22)(H,17,18,23)
InChIKeyBJXGHLJAIJUPCM-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.62
Rot. Bonds2

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

N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 27161442) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID27161442
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC NameN-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCN1CCc2nc(NC(=O)c3n[nH]c(=O)c4ccccc34)sc2C1
InChIInChI=1S/C16H15N5O2S/c1-21-7-6-11-12(8-21)24-16(17-11)18-15(23)13-9-4-2-3-5-10(9)14(22)20-19-13/h2-5H,6-8H2,1H3,(H,20,22)(H,17,18,23)
InChIKeyBJXGHLJAIJUPCM-UHFFFAOYSA-N
XLogP1.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)naphthalene-1-carboxamide
CID 167914935
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 29173142
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-phenyltriazole-4-carboxamide
CID 31245667
2-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 15282280
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503331
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31902099
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 31245887
3,3-dimethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-1H-indole-5-carboxamide
CID 127604185
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-pyridin-2-yloxamide
CID 108525921
4-(4-fluorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 17457003

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)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide (CID 27161442) is N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide is CN1CCc2nc(NC(=O)c3n[nH]c(=O)c4ccccc34)sc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is BJXGHLJAIJUPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-21-7-6-11-12(8-21)24-16(17-11)18-15(23)13-9-4-2-3-5-10(9)14(22)20-19-13/h2-5H,6-8H2,1H3,(H,20,22)(H,17,18,23).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 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)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 27161442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).