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

C11H10N4S2 — CID 767910

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CSc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4S2/c12-10-13-7(5-16-10)6-17-11-14-8-3-1-2-4-9(8)15-11/h1-5H,6H2,(H2,12,13)(H,14,15)
InChIKeyRJNOQUZPWTYHLI-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.89
Rot. Bonds3

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

4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (PubChem CID 767910) has the molecular formula C11H10N4S2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
PubChem CID767910
Molecular FormulaC11H10N4S2
Molecular Weight262.36 g/mol
Exact Mass262.03
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CSc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C11H10N4S2/c12-10-13-7(5-16-10)6-17-11-14-8-3-1-2-4-9(8)15-11/h1-5H,6H2,(H2,12,13)(H,14,15)
InChIKeyRJNOQUZPWTYHLI-UHFFFAOYSA-N
XLogP2.89
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-thienyl)-1H-benzimidazole
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FR117016
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine (CID 767910) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is Nc1nc(CSc2nc3ccccc3[nH]2)cs1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
The InChIKey is RJNOQUZPWTYHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S2/c12-10-13-7(5-16-10)6-17-11-14-8-3-1-2-4-9(8)15-11/h1-5H,6H2,(H2,12,13)(H,14,15).
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine has a molecular weight of 262.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 767910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).