N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

C21H28N4OS — CID 92634104

IUPACN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESC[C@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1
InChIInChI=1S/C21H28N4OS/c1-15-5-6-18-19(12-15)27-21(23-18)24-20(26)13-16-7-10-25(11-8-16)14-17-4-2-3-9-22-17/h2-4,9,15-16H,5-8,10-14H2,1H3,(H,23,24,26)/t15-/m0/s1
InChIKeyQBZZVXXKBPPSFD-HNNXBMFYSA-N
MW384.55 g/mol
LogP3.90
Rot. Bonds5

About N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide

N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 92634104) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
PubChem CID92634104
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC NameN-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
SMILESC[C@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1
InChIInChI=1S/C21H28N4OS/c1-15-5-6-18-19(12-15)27-21(23-18)24-20(26)13-16-7-10-25(11-8-16)14-17-4-2-3-9-22-17/h2-4,9,15-16H,5-8,10-14H2,1H3,(H,23,24,26)/t15-/m0/s1
InChIKeyQBZZVXXKBPPSFD-HNNXBMFYSA-N
XLogP3.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 92634727
2-(4-benzhydrylpiperazin-1-yl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3505849
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 16559280
3-(benzenesulfonyl)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide
CID 7189633
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148
3-(benzylcarbamoylamino)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 24586311
[2-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]amino]-2-oxoethyl] 4-phenylpiperazine-1-carbodithioate
CID 1396464
N-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]oxolane-2-carboxamide
CID 90526258
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 39965422
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2945619

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide (CID 92634104) is N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is C[C@H]1CCc2nc(NC(=O)CC3CCN(Cc4ccccn4)CC3)sc2C1.
What is the InChIKey of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is QBZZVXXKBPPSFD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-15-5-6-18-19(12-15)27-21(23-18)24-20(26)13-16-7-10-25(11-8-16)14-17-4-2-3-9-22-17/h2-4,9,15-16H,5-8,10-14H2,1H3,(H,23,24,26)/t15-/m0/s1.
What are the key properties of N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide?
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 384.55 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92634104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).