2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide

C22H22N4OS2 — CID 4824992

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)sc2c1CCC2
InChIInChI=1S/C22H22N4OS2/c23-12-16-15-4-3-7-18(15)28-22(16)25-20(27)13-26-10-8-14(9-11-26)21-24-17-5-1-2-6-19(17)29-21/h1-2,5-6,14H,3-4,7-11,13H2,(H,25,27)
InChIKeyVIADDFZOSPOQOV-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.54
Rot. Bonds4

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (PubChem CID 4824992) has the molecular formula C22H22N4OS2 and a molecular weight of 422.58 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
PubChem CID4824992
Molecular FormulaC22H22N4OS2
Molecular Weight422.58 g/mol
Exact Mass422.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
SMILESN#Cc1c(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)sc2c1CCC2
InChIInChI=1S/C22H22N4OS2/c23-12-16-15-4-3-7-18(15)28-22(16)25-20(27)13-26-10-8-14(9-11-26)21-24-17-5-1-2-6-19(17)29-21/h1-2,5-6,14H,3-4,7-11,13H2,(H,25,27)
InChIKeyVIADDFZOSPOQOV-UHFFFAOYSA-N
XLogP4.54
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 3670245
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
2-[[2-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 42883731
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86874015
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9337529
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 1437008
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199051
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide (CID 4824992) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is N#Cc1c(NC(=O)CN2CCC(c3nc4ccccc4s3)CC2)sc2c1CCC2.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
The InChIKey is VIADDFZOSPOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS2/c23-12-16-15-4-3-7-18(15)28-22(16)25-20(27)13-26-10-8-14(9-11-26)21-24-17-5-1-2-6-19(17)29-21/h1-2,5-6,14H,3-4,7-11,13H2,(H,25,27).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide has a molecular weight of 422.58 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide is sourced from PubChem (CID 4824992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).