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

C18H26N4OS — CID 24747039

IUPACN-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)21-15(23)12-24-17-20-14-10-7-11-19-16(14)22(17)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,21,23)
InChIKeyJLHSRWCASFCVSJ-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.94
Rot. Bonds4

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

N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (PubChem CID 24747039) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
PubChem CID24747039
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)CSc1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C18H26N4OS/c1-18(2,3)21-15(23)12-24-17-20-14-10-7-11-19-16(14)22(17)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,21,23)
InChIKeyJLHSRWCASFCVSJ-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide (CID 24747039) is N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is CC(C)(C)NC(=O)CSc1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
The InChIKey is JLHSRWCASFCVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-18(2,3)21-15(23)12-24-17-20-14-10-7-11-19-16(14)22(17)13-8-5-4-6-9-13/h7,10-11,13H,4-6,8-9,12H2,1-3H3,(H,21,23).
What are the key properties of N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide?
N-tert-butyl-2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide has a molecular weight of 346.50 g/mol, XLogP of 3.94, 4 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-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanylacetamide is sourced from PubChem (CID 24747039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).