1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide

C11H11N5OS — CID 107497756

IUPAC1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
SMILESN#Cc1ccsc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H11N5OS/c12-2-3-16-6-9(14-7-16)10(17)15-11-8(5-13)1-4-18-11/h1,4,6-7H,2-3,12H2,(H,15,17)
InChIKeyNCNVINCWXXSDKY-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.03
Rot. Bonds4

About 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide (PubChem CID 107497756) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
PubChem CID107497756
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide
SMILESN#Cc1ccsc1NC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H11N5OS/c12-2-3-16-6-9(14-7-16)10(17)15-11-8(5-13)1-4-18-11/h1,4,6-7H,2-3,12H2,(H,15,17)
InChIKeyNCNVINCWXXSDKY-UHFFFAOYSA-N
XLogP1.03
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide (CID 107497756) is 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide is N#Cc1ccsc1NC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide?
The InChIKey is NCNVINCWXXSDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c12-2-3-16-6-9(14-7-16)10(17)15-11-8(5-13)1-4-18-11/h1,4,6-7H,2-3,12H2,(H,15,17).
What are the key properties of 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(3-cyanothiophen-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107497756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).