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

C10H8N4S — CID 69018382

IUPAC2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3nccs3)[nH]c2c1
InChIInChI=1S/C10H8N4S/c11-6-1-2-7-8(5-6)14-9(13-7)10-12-3-4-15-10/h1-5H,11H2,(H,13,14)
InChIKeyNYYGVJRSNKOPKQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

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

2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine (PubChem CID 69018382) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
PubChem CID69018382
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3nccs3)[nH]c2c1
InChIInChI=1S/C10H8N4S/c11-6-1-2-7-8(5-6)14-9(13-7)10-12-3-4-15-10/h1-5H,11H2,(H,13,14)
InChIKeyNYYGVJRSNKOPKQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Thiabendazole
CID 5430
Cambendazole
CID 33309
FR117016
CID 447339
2-[2-Benzimidazolylthio]-5-nitrothiazole
CID 584214
[1,3]Thiazolo[3,2-a]benzimidazole
CID 658562
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
CID 776692
(1-Phenyl-1H-benzoimidazol-5-yl)-thiophen-2-ylmethyl-amine
CID 950037
Thiabendazole hypophosphite
CID 62833
1H-Benzimidazol-6-amine, N-1H-imidazol-2-yl-
CID 10655607
1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-
CID 134912
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine (CID 69018382) is 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3nccs3)[nH]c2c1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine?
The InChIKey is NYYGVJRSNKOPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-6-1-2-7-8(5-6)14-9(13-7)10-12-3-4-15-10/h1-5H,11H2,(H,13,14).
What are the key properties of 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine?
2-(1,3-thiazol-2-yl)-3H-benzimidazol-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 2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 69018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).