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

C12H16N4OS — CID 114134569

IUPACN-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESCCN(C)C(=O)Cn1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C12H16N4OS/c1-4-15(3)10(17)7-16-11-9(14-12(16)18)6-5-8(2)13-11/h5-6H,4,7H2,1-3H3,(H,14,18)
InChIKeyGYVIHEGHEDLTFJ-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.88
Rot. Bonds3

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

N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (PubChem CID 114134569) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
PubChem CID114134569
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide
SMILESCCN(C)C(=O)Cn1c(=S)[nH]c2ccc(C)nc21
InChIInChI=1S/C12H16N4OS/c1-4-15(3)10(17)7-16-11-9(14-12(16)18)6-5-8(2)13-11/h5-6H,4,7H2,1-3H3,(H,14,18)
InChIKeyGYVIHEGHEDLTFJ-UHFFFAOYSA-N
XLogP1.88
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)-N-propan-2-ylacetamide
CID 81138200
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
3-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138357
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
3-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138679
N-cyclopropyl-4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)butanamide
CID 81138217
5-methyl-3-(2-methylbutan-2-yl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138122
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374848
3-[(2-chlorophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138495

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The IUPAC name of N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide (CID 114134569) is N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is CCN(C)C(=O)Cn1c(=S)[nH]c2ccc(C)nc21.
What is the InChIKey of N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
The InChIKey is GYVIHEGHEDLTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-4-15(3)10(17)7-16-11-9(14-12(16)18)6-5-8(2)13-11/h5-6H,4,7H2,1-3H3,(H,14,18).
What are the key properties of N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide?
N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide has a molecular weight of 264.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 114134569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).