ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C15H14N4O3S — CID 9110686

IUPACethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C
InChIInChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyZPNHAQUPNYGNHA-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.76
Rot. Bonds4

About ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 9110686) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID9110686
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Nameethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C
InChIInChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyZPNHAQUPNYGNHA-UHFFFAOYSA-N
XLogP2.76
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 9110686) is ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1C.
What is the InChIKey of ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is ZPNHAQUPNYGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-3-22-14(21)12-8(2)18-15(23-12)19-13(20)9-4-5-10-11(6-9)17-7-16-10/h4-7H,3H2,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3H-benzimidazole-5-carbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9110686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).