1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile

C10H11N5S — CID 114652327

IUPAC1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile
SMILESCCNc1snnc1Cn1cccc1C#N
InChIInChI=1S/C10H11N5S/c1-2-12-10-9(13-14-16-10)7-15-5-3-4-8(15)6-11/h3-5,12H,2,7H2,1H3
InChIKeyPLZCNBCATJJAIV-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.69
Rot. Bonds4

About 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile

1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile (PubChem CID 114652327) has the molecular formula C10H11N5S and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile
PubChem CID114652327
Molecular FormulaC10H11N5S
Molecular Weight233.30 g/mol
Exact Mass233.07
IUPAC Name1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile
SMILESCCNc1snnc1Cn1cccc1C#N
InChIInChI=1S/C10H11N5S/c1-2-12-10-9(13-14-16-10)7-15-5-3-4-8(15)6-11/h3-5,12H,2,7H2,1H3
InChIKeyPLZCNBCATJJAIV-UHFFFAOYSA-N
XLogP1.69
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile?
The IUPAC name of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile (CID 114652327) is 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile.
What is the SMILES notation for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile?
The canonical SMILES for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile is CCNc1snnc1Cn1cccc1C#N.
What is the InChIKey of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile?
The InChIKey is PLZCNBCATJJAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S/c1-2-12-10-9(13-14-16-10)7-15-5-3-4-8(15)6-11/h3-5,12H,2,7H2,1H3.
What are the key properties of 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile?
1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile has a molecular weight of 233.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylamino)thiadiazol-4-yl]methyl]pyrrole-2-carbonitrile is sourced from PubChem (CID 114652327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).