2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C20H23N5O2S2 — CID 651393

IUPAC2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1CCN(C(=O)Cn2c(SCC(=O)Nc3nccs3)nc3ccccc32)CC1
InChIInChI=1S/C20H23N5O2S2/c1-14-6-9-24(10-7-14)18(27)12-25-16-5-3-2-4-15(16)22-20(25)29-13-17(26)23-19-21-8-11-28-19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,21,23,26)
InChIKeyZJIZHLNIWXBBGP-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.48
Rot. Bonds6

About 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 651393) has the molecular formula C20H23N5O2S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID651393
Molecular FormulaC20H23N5O2S2
Molecular Weight429.57 g/mol
Exact Mass429.13
IUPAC Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCC1CCN(C(=O)Cn2c(SCC(=O)Nc3nccs3)nc3ccccc32)CC1
InChIInChI=1S/C20H23N5O2S2/c1-14-6-9-24(10-7-14)18(27)12-25-16-5-3-2-4-15(16)22-20(25)29-13-17(26)23-19-21-8-11-28-19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,21,23,26)
InChIKeyZJIZHLNIWXBBGP-UHFFFAOYSA-N
XLogP3.48
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]acetamide
CID 20823986
2-({12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)acetamide
CID 20823995
N-(4-Bromophenyl)-2-[2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]acetamide
CID 44602364
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 44454946
N-(4-Chlorophenyl)-2-[2-(1,3-thiazol-5-yl)-1H-benzimidazol-1-yl]acetamide
CID 612046
N-(4-{[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)acetamide
CID 1117212
N-methyl-2-[(2-{3-[12-methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]phenyl}ethyl)amino]acetamide
CID 25093452
N-(1,3-Benzothiazol-2-YL)-2-({1-[(4-methylphenyl)methyl]-1H-imidazol-2-YL}sulfanyl)acetamide
CID 7151039
2-(1-methylimidazol-2-yl)sulfanyl-N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)acetamide
CID 4262516
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 4880453
N-Phenethyl-2-(2-thiazol-5-yl-benzoimidazol-1-yl)-acetamide
CID 611858

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 651393) is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is CC1CCN(C(=O)Cn2c(SCC(=O)Nc3nccs3)nc3ccccc32)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZJIZHLNIWXBBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S2/c1-14-6-9-24(10-7-14)18(27)12-25-16-5-3-2-4-15(16)22-20(25)29-13-17(26)23-19-21-8-11-28-19/h2-5,8,11,14H,6-7,9-10,12-13H2,1H3,(H,21,23,26).
What are the key properties of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 429.57 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 651393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).