4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile

C12H11N5O2S — CID 106412944

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
SMILESN#Cc1c(NCc2ncon2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H11N5O2S/c13-3-7-9(14)11(10(18)6-1-2-6)20-12(7)15-4-8-16-5-19-17-8/h5-6,15H,1-2,4,14H2
InChIKeyGHCSDEMKQUZXJP-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.79
Rot. Bonds5

About 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile

4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile (PubChem CID 106412944) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
PubChem CID106412944
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile
SMILESN#Cc1c(NCc2ncon2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C12H11N5O2S/c13-3-7-9(14)11(10(18)6-1-2-6)20-12(7)15-4-8-16-5-19-17-8/h5-6,15H,1-2,4,14H2
InChIKeyGHCSDEMKQUZXJP-UHFFFAOYSA-N
XLogP1.79
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-5-(cyclopropanecarbonyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]thiophene-3-carbonitrile
CID 103506876
3-amino-4-cyclopropyl-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2-carboxamide
CID 106412968
dimethyl 3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-2,4-dicarboxylate
CID 106412893
3-amino-5-(1,2,4-oxadiazol-3-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 106412732
4-amino-N-methyl-2-(1,2,4-oxadiazol-3-ylmethylamino)-5-propanoylthiophene-3-carboxamide
CID 106412904
methyl 3-amino-4-cyclopropyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxylate
CID 106413091
4-amino-5-propanoyl-2-(pyridin-4-ylmethylamino)thiophene-3-carbonitrile
CID 103426681
3-amino-4-cyano-5-[(1-methylpyrazol-4-yl)methylamino]thiophene-2-carboxamide
CID 103507784
3-amino-4-cyano-5-[(2-methylphenyl)methylamino]thiophene-2-carboxamide
CID 103432089
4-cyclopropylsulfonyl-5-N-(1,2,4-oxadiazol-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 106412715
4-amino-5-(cyclopropanecarbonyl)-2-(1,4-oxazepan-4-yl)thiophene-3-carbonitrile
CID 103421751
5-acetyl-4-amino-2-[(4-methylphenyl)methylamino]thiophene-3-carbonitrile
CID 103426327

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile (CID 106412944) is 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile is N#Cc1c(NCc2ncon2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile?
The InChIKey is GHCSDEMKQUZXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c13-3-7-9(14)11(10(18)6-1-2-6)20-12(7)15-4-8-16-5-19-17-8/h5-6,15H,1-2,4,14H2.
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile?
4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile has a molecular weight of 289.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 106412944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).