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

C10H8N4S — CID 11586565

IUPACN-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc2[nH]c(Nc3nccs3)nc2c1
InChIInChI=1S/C10H8N4S/c1-2-4-8-7(3-1)12-9(13-8)14-10-11-5-6-15-10/h1-6H,(H2,11,12,13,14)
InChIKeyDDMZUSPZBMCBRS-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.76
Rot. Bonds2

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

N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 11586565) has the molecular formula C10H8N4S and a molecular weight of 216.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
PubChem CID11586565
Molecular FormulaC10H8N4S
Molecular Weight216.27 g/mol
Exact Mass216.05
IUPAC NameN-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc2[nH]c(Nc3nccs3)nc2c1
InChIInChI=1S/C10H8N4S/c1-2-4-8-7(3-1)12-9(13-8)14-10-11-5-6-15-10/h1-6H,(H2,11,12,13,14)
InChIKeyDDMZUSPZBMCBRS-UHFFFAOYSA-N
XLogP2.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine (CID 11586565) is N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine is c1ccc2[nH]c(Nc3nccs3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is DDMZUSPZBMCBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S/c1-2-4-8-7(3-1)12-9(13-8)14-10-11-5-6-15-10/h1-6H,(H2,11,12,13,14).
What are the key properties of N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine?
N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 216.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11586565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).