N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide

C20H21N3OS2 — CID 99875760

IUPACN-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
SMILESO=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H21N3OS2/c24-19(17-7-5-16(6-8-17)18-4-2-11-25-18)22-13-15-3-1-10-23(14-15)20-21-9-12-26-20/h2,4-9,11-12,15H,1,3,10,13-14H2,(H,22,24)/t15-/m0/s1
InChIKeyZFJOLIKZNBKBDZ-HNNXBMFYSA-N
MW383.54 g/mol
LogP4.52
Rot. Bonds5

About N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide

N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide (PubChem CID 99875760) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide.

Molecular Properties

Compound NameN-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
PubChem CID99875760
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC NameN-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide
SMILESO=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C20H21N3OS2/c24-19(17-7-5-16(6-8-17)18-4-2-11-25-18)22-13-15-3-1-10-23(14-15)20-21-9-12-26-20/h2,4-9,11-12,15H,1,3,10,13-14H2,(H,22,24)/t15-/m0/s1
InChIKeyZFJOLIKZNBKBDZ-HNNXBMFYSA-N
XLogP4.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875791
N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]quinoline-2-carboxamide
CID 90621816
4-(4-fluorophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875755
4-(4-fluorophenyl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 99875754
2-(4-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875704
2-(4-ethoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621607
2-(6-oxopyridazin-1-yl)-N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 99875789
3-(4-bromophenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]propanamide
CID 99875725
2-(4-fluorophenyl)sulfanyl-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]acetamide
CID 90621618
3-(2-methoxyphenyl)-N-[[(3R)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 99875799
1-(4-chlorophenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 90621638
2,6-difluoro-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]benzenesulfonamide
CID 90621915

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide?
The IUPAC name of N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide (CID 99875760) is N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide.
What is the SMILES notation for N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide?
The canonical SMILES for N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide is O=C(NC[C@@H]1CCCN(c2nccs2)C1)c1ccc(-c2cccs2)cc1.
What is the InChIKey of N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide?
The InChIKey is ZFJOLIKZNBKBDZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c24-19(17-7-5-16(6-8-17)18-4-2-11-25-18)22-13-15-3-1-10-23(14-15)20-21-9-12-26-20/h2,4-9,11-12,15H,1,3,10,13-14H2,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide?
N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide has a molecular weight of 383.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]-4-thiophen-2-ylbenzamide is sourced from PubChem (CID 99875760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).