4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine

C10H8N4S — CID 122179935

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine
SMILESNc1scnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C10H8N4S/c11-9-8(12-5-15-9)10-13-6-3-1-2-4-7(6)14-10/h1-5H,11H2,(H,13,14)
InChIKeyDQXIJCLZANDDJA-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

About 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine

4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine (PubChem CID 122179935) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine
PubChem CID122179935
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine
SMILESNc1scnc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C10H8N4S/c11-9-8(12-5-15-9)10-13-6-3-1-2-4-7(6)14-10/h1-5H,11H2,(H,13,14)
InChIKeyDQXIJCLZANDDJA-UHFFFAOYSA-N
XLogP2.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine (CID 122179935) is 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine is Nc1scnc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine?
The InChIKey is DQXIJCLZANDDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-9-8(12-5-15-9)10-13-6-3-1-2-4-7(6)14-10/h1-5H,11H2,(H,13,14).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine?
4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine has a molecular weight of 216.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 122179935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).