N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide

C11H14N4OS — CID 79287910

IUPACN,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESCc1ccnc2c1[nH]c(=S)n2CC(=O)N(C)C
InChIInChI=1S/C11H14N4OS/c1-7-4-5-12-10-9(7)13-11(17)15(10)6-8(16)14(2)3/h4-5H,6H2,1-3H3,(H,13,17)
InChIKeyINIXFZGONGHFKA-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.49
Rot. Bonds2

About N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide

N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (PubChem CID 79287910) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
PubChem CID79287910
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESCc1ccnc2c1[nH]c(=S)n2CC(=O)N(C)C
InChIInChI=1S/C11H14N4OS/c1-7-4-5-12-10-9(7)13-11(17)15(10)6-8(16)14(2)3/h4-5H,6H2,1-3H3,(H,13,17)
InChIKeyINIXFZGONGHFKA-UHFFFAOYSA-N
XLogP1.49
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The IUPAC name of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (CID 79287910) is N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is Cc1ccnc2c1[nH]c(=S)n2CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The InChIKey is INIXFZGONGHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-7-4-5-12-10-9(7)13-11(17)15(10)6-8(16)14(2)3/h4-5H,6H2,1-3H3,(H,13,17).
What are the key properties of N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide has a molecular weight of 250.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 79287910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).