2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile

C14H10N2O2S — CID 2837584

IUPAC2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2C1c1ccsc1
InChIInChI=1S/C14H10N2O2S/c15-6-11-13(8-3-4-19-7-8)10-2-1-9(17)5-12(10)18-14(11)16/h1-5,7,13,17H,16H2
InChIKeyNUYFOGNMWHRFDS-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.67
Rot. Bonds1

About 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile

2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile (PubChem CID 2837584) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
PubChem CID2837584
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2cc(O)ccc2C1c1ccsc1
InChIInChI=1S/C14H10N2O2S/c15-6-11-13(8-3-4-19-7-8)10-2-1-9(17)5-12(10)18-14(11)16/h1-5,7,13,17H,16H2
InChIKeyNUYFOGNMWHRFDS-UHFFFAOYSA-N
XLogP2.67
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,7-diamino-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2839508
(4R)-2-amino-7-hydroxy-4-(4-methylphenyl)-4H-chromene-3-carbonitrile
CID 752580
(4R)-2-amino-4-(3,4-dichlorophenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 766183
2-amino-7-hydroxy-4-(4-propan-2-ylphenyl)-4H-chromene-3-carbonitrile
CID 2835001
2-amino-7-hydroxy-4-(4-methylsulfanylphenyl)-4H-chromene-3-carbonitrile
CID 4678187
3-[(4R)-2-amino-3-cyano-7-hydroxy-4H-chromen-4-yl]-N-hydroxybenzeneamine oxide
CID 163147919
(4S)-2-amino-7-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-4H-chromene-3-carbonitrile
CID 915024
2-amino-4-(3-hydroxyphenyl)-4H-chromene-3-carbonitrile
CID 102204745
2-amino-4-(4-butoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3112858
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 3153844
(4R)-2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 752577
(4S)-2-amino-4-(4-ethoxy-3-iodo-5-methoxyphenyl)-7-hydroxy-4H-chromene-3-carbonitrile
CID 126143250

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile (CID 2837584) is 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile is N#CC1=C(N)Oc2cc(O)ccc2C1c1ccsc1.
What is the InChIKey of 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
The InChIKey is NUYFOGNMWHRFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c15-6-11-13(8-3-4-19-7-8)10-2-1-9(17)5-12(10)18-14(11)16/h1-5,7,13,17H,16H2.
What are the key properties of 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile?
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile has a molecular weight of 270.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile is sourced from PubChem (CID 2837584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).