(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile

C18H12N2O2S — CID 912920

IUPAC(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1ccsc1
InChIInChI=1S/C18H12N2O2S/c19-8-13-15(11-5-6-23-9-11)16-12-4-2-1-3-10(12)7-14(21)17(16)22-18(13)20/h1-7,9,15,21H,20H2/t15-/m0/s1
InChIKeyCSRKUFJIAPRYOO-HNNXBMFYSA-N
MW320.37 g/mol
LogP3.83
Rot. Bonds1

About (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile

(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile (PubChem CID 912920) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile.

Molecular Properties

Compound Name(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile
PubChem CID912920
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile
SMILESN#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1ccsc1
InChIInChI=1S/C18H12N2O2S/c19-8-13-15(11-5-6-23-9-11)16-12-4-2-1-3-10(12)7-14(21)17(16)22-18(13)20/h1-7,9,15,21H,20H2/t15-/m0/s1
InChIKeyCSRKUFJIAPRYOO-HNNXBMFYSA-N
XLogP3.83
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The IUPAC name of (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile (CID 912920) is (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile.
What is the SMILES notation for (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The canonical SMILES for (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile is N#CC1=C(N)Oc2c(O)cc3ccccc3c2[C@H]1c1ccsc1.
What is the InChIKey of (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile?
The InChIKey is CSRKUFJIAPRYOO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c19-8-13-15(11-5-6-23-9-11)16-12-4-2-1-3-10(12)7-14(21)17(16)22-18(13)20/h1-7,9,15,21H,20H2/t15-/m0/s1.
What are the key properties of (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile?
(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile has a molecular weight of 320.37 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile is sourced from PubChem (CID 912920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).