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

C14H16N4S — CID 65038302

IUPAC[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(-c2scnc2C)nc2cc(CN)ccc21
InChIInChI=1S/C14H16N4S/c1-3-18-12-5-4-10(7-15)6-11(12)17-14(18)13-9(2)16-8-19-13/h4-6,8H,3,7,15H2,1-2H3
InChIKeyRCYPLQKKIBHVIS-UHFFFAOYSA-N
MW272.38 g/mol
LogP2.95
Rot. Bonds3

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

[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine (PubChem CID 65038302) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
PubChem CID65038302
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine
SMILESCCn1c(-c2scnc2C)nc2cc(CN)ccc21
InChIInChI=1S/C14H16N4S/c1-3-18-12-5-4-10(7-15)6-11(12)17-14(18)13-9(2)16-8-19-13/h4-6,8H,3,7,15H2,1-2H3
InChIKeyRCYPLQKKIBHVIS-UHFFFAOYSA-N
XLogP2.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine (CID 65038302) is [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine is CCn1c(-c2scnc2C)nc2cc(CN)ccc21.
What is the InChIKey of [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine?
The InChIKey is RCYPLQKKIBHVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-3-18-12-5-4-10(7-15)6-11(12)17-14(18)13-9(2)16-8-19-13/h4-6,8H,3,7,15H2,1-2H3.
What are the key properties of [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine?
[1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine has a molecular weight of 272.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 65038302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).