[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone

C20H25N5OS — CID 156528929

IUPAC[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1nc(C)sc1-c1nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc2n1C
InChIInChI=1S/C20H25N5OS/c1-4-15-18(27-12(2)22-15)19-23-16-10-13(7-8-17(16)24(19)3)20(26)25-9-5-6-14(21)11-25/h7-8,10,14H,4-6,9,11,21H2,1-3H3/t14-/m1/s1
InChIKeyBUDQRYVIYVZKPL-CQSZACIVSA-N
MW383.52 g/mol
LogP3.13
Rot. Bonds3

About [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone

[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone (PubChem CID 156528929) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone
PubChem CID156528929
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone
SMILESCCc1nc(C)sc1-c1nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc2n1C
InChIInChI=1S/C20H25N5OS/c1-4-15-18(27-12(2)22-15)19-23-16-10-13(7-8-17(16)24(19)3)20(26)25-9-5-6-14(21)11-25/h7-8,10,14H,4-6,9,11,21H2,1-3H3/t14-/m1/s1
InChIKeyBUDQRYVIYVZKPL-CQSZACIVSA-N
XLogP3.13
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone (CID 156528929) is [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone is CCc1nc(C)sc1-c1nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc2n1C.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone?
The InChIKey is BUDQRYVIYVZKPL-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-4-15-18(27-12(2)22-15)19-23-16-10-13(7-8-17(16)24(19)3)20(26)25-9-5-6-14(21)11-25/h7-8,10,14H,4-6,9,11,21H2,1-3H3/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone has a molecular weight of 383.52 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1-methylbenzimidazol-5-yl]methanone is sourced from PubChem (CID 156528929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).