[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

C19H23N5OS — CID 70711688

IUPAC[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)s1
InChIInChI=1S/C19H23N5OS/c1-11-6-4-8-14-15(11)23-17(22-14)13-7-5-9-24(10-13)18(25)16-12(2)21-19(20-3)26-16/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVLSURSNUJMCINE-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.70
Rot. Bonds3

About [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone

[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 70711688) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID70711688
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1nc(C)c(C(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)s1
InChIInChI=1S/C19H23N5OS/c1-11-6-4-8-14-15(11)23-17(22-14)13-7-5-9-24(10-13)18(25)16-12(2)21-19(20-3)26-16/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyVLSURSNUJMCINE-UHFFFAOYSA-N
XLogP3.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 66787018
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyrimidin-3-yl)methanone
CID 96576304
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56738871
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118844

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 70711688) is [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1nc(C)c(C(=O)N2CCCC(c3nc4c(C)cccc4[nH]3)C2)s1.
What is the InChIKey of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is VLSURSNUJMCINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-11-6-4-8-14-15(11)23-17(22-14)13-7-5-9-24(10-13)18(25)16-12(2)21-19(20-3)26-16/h4,6,8,13H,5,7,9-10H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone?
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 369.49 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 70711688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).