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

C10H8N4S — CID 776692

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C10H8N4S/c11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9/h1-5H,(H2,11,14)(H,12,13)
InChIKeyQNFRWSFKMIBEFK-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.27
Rot. Bonds1

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

4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 776692) 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-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID776692
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C10H8N4S/c11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9/h1-5H,(H2,11,14)(H,12,13)
InChIKeyQNFRWSFKMIBEFK-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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Related Compounds

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2-(Allylthio)benzimidazole
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2-(Ethylthio)benzimidazole
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2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide
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2-(5-Methyl-2-thienyl)-1H-benzimidazole
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2-(2-thienyl)-1H-benzimidazole
CID 506600
FR117016
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Benzimidazol-2-ylmethanethiol
CID 95983
1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione
CID 672548

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (CID 776692) is 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine is Nc1nc(-c2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is QNFRWSFKMIBEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c11-10-14-8(5-15-10)9-12-6-3-1-2-4-7(6)13-9/h1-5H,(H2,11,14)(H,12,13).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
4-(1H-benzimidazol-2-yl)-1,3-thiazol-2-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-2-amine is sourced from PubChem (CID 776692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).