N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

C13H18N4OS — CID 3214185

IUPACN-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc2cccnc21
InChIInChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)8-19-12-15-9-6-5-7-14-11(9)17(12)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyPOYVHGGLTILTHM-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.98
Rot. Bonds3

About N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide

N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 3214185) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID3214185
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)NC(C)(C)C)nc2cccnc21
InChIInChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)8-19-12-15-9-6-5-7-14-11(9)17(12)4/h5-7H,8H2,1-4H3,(H,16,18)
InChIKeyPOYVHGGLTILTHM-UHFFFAOYSA-N
XLogP1.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
CID 3214197
methyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]benzoate
CID 3214198
2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanyl-1-piperidin-1-ylethanone
CID 645257
N-tert-butyl-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 47046624
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
CID 43812795
N-(tert-butylcarbamoyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3656560
2-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 46324868
N-tert-butyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2696280
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
CID 43812798
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 3214185) is N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)NC(C)(C)C)nc2cccnc21.
What is the InChIKey of N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is POYVHGGLTILTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-13(2,3)16-10(18)8-19-12-15-9-6-5-7-14-11(9)17(12)4/h5-7H,8H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3214185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).