N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide

C18H16N4O2S — CID 11559404

IUPACN-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccoc4)cc23)cs1
InChIInChI=1S/C18H16N4O2S/c1-10(2)17(23)22-18-21-15(9-25-18)14-7-20-16-13(14)5-12(6-19-16)11-3-4-24-8-11/h3-10H,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyADMYCPJXLPGGOD-UHFFFAOYSA-N
MW352.42 g/mol
LogP4.54
Rot. Bonds4

About N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 11559404) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID11559404
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccoc4)cc23)cs1
InChIInChI=1S/C18H16N4O2S/c1-10(2)17(23)22-18-21-15(9-25-18)14-7-20-16-13(14)5-12(6-19-16)11-3-4-24-8-11/h3-10H,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyADMYCPJXLPGGOD-UHFFFAOYSA-N
XLogP4.54
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 11559404) is N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2c[nH]c3ncc(-c4ccoc4)cc23)cs1.
What is the InChIKey of N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is ADMYCPJXLPGGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-10(2)17(23)22-18-21-15(9-25-18)14-7-20-16-13(14)5-12(6-19-16)11-3-4-24-8-11/h3-10H,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 352.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 11559404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).