5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one

C15H19N5OS — CID 143091331

IUPAC5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCCCC(C)(N)c1nc2ccc(-c3n[nH]c(=O)s3)cc2n1C
InChIInChI=1S/C15H19N5OS/c1-4-7-15(2,16)13-17-10-6-5-9(8-11(10)20(13)3)12-18-19-14(21)22-12/h5-6,8H,4,7,16H2,1-3H3,(H,19,21)
InChIKeyQGMVONQMYXARLY-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.36
Rot. Bonds4

About 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one

5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one (PubChem CID 143091331) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one.

Molecular Properties

Compound Name5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one
PubChem CID143091331
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one
SMILESCCCC(C)(N)c1nc2ccc(-c3n[nH]c(=O)s3)cc2n1C
InChIInChI=1S/C15H19N5OS/c1-4-7-15(2,16)13-17-10-6-5-9(8-11(10)20(13)3)12-18-19-14(21)22-12/h5-6,8H,4,7,16H2,1-3H3,(H,19,21)
InChIKeyQGMVONQMYXARLY-UHFFFAOYSA-N
XLogP2.36
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one?
The IUPAC name of 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one (CID 143091331) is 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one.
What is the SMILES notation for 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one?
The canonical SMILES for 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one is CCCC(C)(N)c1nc2ccc(-c3n[nH]c(=O)s3)cc2n1C.
What is the InChIKey of 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one?
The InChIKey is QGMVONQMYXARLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-7-15(2,16)13-17-10-6-5-9(8-11(10)20(13)3)12-18-19-14(21)22-12/h5-6,8H,4,7,16H2,1-3H3,(H,19,21).
What are the key properties of 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one?
5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one has a molecular weight of 317.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminopentan-2-yl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-thiadiazol-2-one is sourced from PubChem (CID 143091331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).