4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one

C11H9N3O2S — CID 114181566

IUPAC4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nccc3occc23)cs1
InChIInChI=1S/C11H9N3O2S/c15-11-14-7(6-17-11)5-13-10-8-2-4-16-9(8)1-3-12-10/h1-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyVJUMCVCFSNVSBH-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.19
Rot. Bonds3

About 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 114181566) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID114181566
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNc2nccc3occc23)cs1
InChIInChI=1S/C11H9N3O2S/c15-11-14-7(6-17-11)5-13-10-8-2-4-16-9(8)1-3-12-10/h1-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyVJUMCVCFSNVSBH-UHFFFAOYSA-N
XLogP2.19
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-(1,3-oxazol-4-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 166178354
4-[(quinolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181570
4-[[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106384084
4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 136803553
4-[[(5-amino-6-chloropyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106379356
4-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383043
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572
4-[[(3,6-dichloro-1,2,4-triazin-5-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383057
4-[[(1-methylimidazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382050
4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384321
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]furo[3,2-c]pyridin-4-amine
CID 86805535

Frequently Asked Questions

What is the IUPAC name of 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 114181566) is 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNc2nccc3occc23)cs1.
What is the InChIKey of 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is VJUMCVCFSNVSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-11-14-7(6-17-11)5-13-10-8-2-4-16-9(8)1-3-12-10/h1-4,6H,5H2,(H,12,13)(H,14,15).
What are the key properties of 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 247.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(furo[3,2-c]pyridin-4-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 114181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).