2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide

C14H14N6O2S — CID 67168836

IUPAC2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)s1
InChIInChI=1S/C14H14N6O2S/c15-13(21)9-1-2-10(23-9)14(22)20(7-11-16-3-4-17-11)8-12-18-5-6-19-12/h1-6H,7-8H2,(H2,15,21)(H,16,17)(H,18,19)
InChIKeyVVVANCDEVRIWSQ-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.14
Rot. Bonds6

About 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide

2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide (PubChem CID 67168836) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide
PubChem CID67168836
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC Name2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)s1
InChIInChI=1S/C14H14N6O2S/c15-13(21)9-1-2-10(23-9)14(22)20(7-11-16-3-4-17-11)8-12-18-5-6-19-12/h1-6H,7-8H2,(H2,15,21)(H,16,17)(H,18,19)
InChIKeyVVVANCDEVRIWSQ-UHFFFAOYSA-N
XLogP1.14
TPSA120.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide (CID 67168836) is 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide is NC(=O)c1ccc(C(=O)N(Cc2ncc[nH]2)Cc2ncc[nH]2)s1.
What is the InChIKey of 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide?
The InChIKey is VVVANCDEVRIWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c15-13(21)9-1-2-10(23-9)14(22)20(7-11-16-3-4-17-11)8-12-18-5-6-19-12/h1-6H,7-8H2,(H2,15,21)(H,16,17)(H,18,19).
What are the key properties of 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide?
2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(1H-imidazol-2-ylmethyl)thiophene-2,5-dicarboxamide is sourced from PubChem (CID 67168836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).