6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C14H14N4OS2 — CID 3239805

IUPAC6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCSCCC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8H,4,6,16H2,1H3,(H,17,18)
InChIKeyUICRWRPTIDKAPK-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.06
Rot. Bonds4

About 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3239805) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3239805
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCSCCC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21
InChIInChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8H,4,6,16H2,1H3,(H,17,18)
InChIKeyUICRWRPTIDKAPK-UHFFFAOYSA-N
XLogP3.06
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

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Related Compounds

(4R)-6-amino-4-cyclohexyl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 948950
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CID 2946173
6-amino-4-(4-propan-2-ylphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155323
6-amino-4-(4-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 146441668
(4R)-6-amino-4-(2-fluorophenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 729269
(4S)-6-amino-4-(furan-3-yl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 975032
(4S)-6-amino-4-pyridin-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 728973
6-amino-4-cyclohex-2-en-1-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3794572
(4R)-6-amino-4-(4-propoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 40590157
6-amino-4-pyridin-1-ium-3-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4248530
(4S)-6-amino-4-(3-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1087851
6-amino-4-(3-hydroxy-4-methoxyphenyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4581533

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3239805) is 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CSCCC1C(C#N)=C(N)Oc2n[nH]c(-c3cccs3)c21.
What is the InChIKey of 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is UICRWRPTIDKAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8H,4,6,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 318.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3239805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).