3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide

C23H30N4O3S — CID 92584339

IUPAC3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESC[C@H]1CCc2nc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1
InChIInChI=1S/C23H30N4O3S/c1-14-6-7-17-20(12-14)31-23(24-17)25-21(28)19-13-18(26-30-19)15-8-10-27(11-9-15)22(29)16-4-2-3-5-16/h13-16H,2-12H2,1H3,(H,24,25,28)/t14-/m0/s1
InChIKeyBKHGFONBXWUVSS-AWEZNQCLSA-N
MW442.59 g/mol
LogP4.40
Rot. Bonds4

About 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide

3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 92584339) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID92584339
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC Name3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide
SMILESC[C@H]1CCc2nc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1
InChIInChI=1S/C23H30N4O3S/c1-14-6-7-17-20(12-14)31-23(24-17)25-21(28)19-13-18(26-30-19)15-8-10-27(11-9-15)22(29)16-4-2-3-5-16/h13-16H,2-12H2,1H3,(H,24,25,28)/t14-/m0/s1
InChIKeyBKHGFONBXWUVSS-AWEZNQCLSA-N
XLogP4.40
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 47199587
5-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 16953633
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 976760
1-(1-methylpiperidine-4-carbonyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246358
5-bromo-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 42280055
N-[5-(cyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]furan-2-carboxamide
CID 90526442
5-[(2,5-dimethylimidazol-1-yl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 45148711
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-3-nitro-4-piperidin-1-ylbenzamide
CID 7689779
2-methyl-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyrazole-3-carboxamide
CID 25284514
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5132842
4-methyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 110226476
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 4690337

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide (CID 92584339) is 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide is C[C@H]1CCc2nc(NC(=O)c3cc(C4CCN(C(=O)C5CCCC5)CC4)no3)sc2C1.
What is the InChIKey of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is BKHGFONBXWUVSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-14-6-7-17-20(12-14)31-23(24-17)25-21(28)19-13-18(26-30-19)15-8-10-27(11-9-15)22(29)16-4-2-3-5-16/h13-16H,2-12H2,1H3,(H,24,25,28)/t14-/m0/s1.
What are the key properties of 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide?
3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 92584339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).