2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one

C11H10N4OS — CID 69482952

IUPAC2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2nc3ccccc3[nH]2)S1
InChIInChI=1S/C11H10N4OS/c12-11-15-10(16)8(17-11)5-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyDXUSGNSKOADJJG-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.06
Rot. Bonds2

About 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one

2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one (PubChem CID 69482952) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one
PubChem CID69482952
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC Name2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2nc3ccccc3[nH]2)S1
InChIInChI=1S/C11H10N4OS/c12-11-15-10(16)8(17-11)5-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,13,14)(H2,12,15,16)
InChIKeyDXUSGNSKOADJJG-UHFFFAOYSA-N
XLogP1.06
TPSA84.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one (CID 69482952) is 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2nc3ccccc3[nH]2)S1.
What is the InChIKey of 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one?
The InChIKey is DXUSGNSKOADJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-11-15-10(16)8(17-11)5-9-13-6-3-1-2-4-7(6)14-9/h1-4,8H,5H2,(H,13,14)(H2,12,15,16).
What are the key properties of 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one?
2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one has a molecular weight of 246.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1H-benzimidazol-2-ylmethyl)-1,3-thiazol-4-one is sourced from PubChem (CID 69482952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).