[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine

C13H14N4S — CID 65038016

IUPAC[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(-c2cscn2)nc2cc(CN)ccc21
InChIInChI=1S/C13H14N4S/c1-2-17-12-4-3-9(6-14)5-10(12)16-13(17)11-7-18-8-15-11/h3-5,7-8H,2,6,14H2,1H3
InChIKeyRBPWCAOFMHSNAO-UHFFFAOYSA-N
MW258.35 g/mol
LogP2.64
Rot. Bonds3

About [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine

[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine (PubChem CID 65038016) has the molecular formula C13H14N4S and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
PubChem CID65038016
Molecular FormulaC13H14N4S
Molecular Weight258.35 g/mol
Exact Mass258.09
IUPAC Name[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(-c2cscn2)nc2cc(CN)ccc21
InChIInChI=1S/C13H14N4S/c1-2-17-12-4-3-9(6-14)5-10(12)16-13(17)11-7-18-8-15-11/h3-5,7-8H,2,6,14H2,1H3
InChIKeyRBPWCAOFMHSNAO-UHFFFAOYSA-N
XLogP2.64
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine (CID 65038016) is [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine is CCn1c(-c2cscn2)nc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine?
The InChIKey is RBPWCAOFMHSNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S/c1-2-17-12-4-3-9(6-14)5-10(12)16-13(17)11-7-18-8-15-11/h3-5,7-8H,2,6,14H2,1H3.
What are the key properties of [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine?
[1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine has a molecular weight of 258.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(1,3-thiazol-4-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).