N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

C11H13N5O2S — CID 91948875

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cnc2nsnc2c1
InChIInChI=1S/C11H13N5O2S/c1-6(2)14-9(17)5-13-11(18)7-3-8-10(12-4-7)16-19-15-8/h3-4,6H,5H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyCXVZJPOBHATHSM-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.34
Rot. Bonds4

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 91948875) has the molecular formula C11H13N5O2S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
PubChem CID91948875
Molecular FormulaC11H13N5O2S
Molecular Weight279.32 g/mol
Exact Mass279.08
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cnc2nsnc2c1
InChIInChI=1S/C11H13N5O2S/c1-6(2)14-9(17)5-13-11(18)7-3-8-10(12-4-7)16-19-15-8/h3-4,6H,5H2,1-2H3,(H,13,18)(H,14,17)
InChIKeyCXVZJPOBHATHSM-UHFFFAOYSA-N
XLogP0.34
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[1-(4-propan-2-ylphenyl)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948861
N-[3-(dimethylamino)-2,2-dimethylpropyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948971
N-cycloheptyl-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948867
N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide
CID 91948871
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 35371155
6-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43429243
2-anilino-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrimidine-5-carboxamide
CID 72843392
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
4-hydrazinyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 62236139
5,6-dichloro-N-[2-(2-methylpropylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 49167384
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9300971

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide (CID 91948875) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is CC(C)NC(=O)CNC(=O)c1cnc2nsnc2c1.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is CXVZJPOBHATHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-6(2)14-9(17)5-13-11(18)7-3-8-10(12-4-7)16-19-15-8/h3-4,6H,5H2,1-2H3,(H,13,18)(H,14,17).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 279.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-[1,2,5]thiadiazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 91948875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).