N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C18H19N3OS2 — CID 47073484

IUPACN-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1
InChIInChI=1S/C18H19N3OS2/c22-18(16-6-3-11-23-16)19-13-7-9-21(10-8-13)12-17-20-14-4-1-2-5-15(14)24-17/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyPFDHSOPMCVDVJG-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.75
Rot. Bonds4

About N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47073484) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47073484
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1
InChIInChI=1S/C18H19N3OS2/c22-18(16-6-3-11-23-16)19-13-7-9-21(10-8-13)12-17-20-14-4-1-2-5-15(14)24-17/h1-6,11,13H,7-10,12H2,(H,19,22)
InChIKeyPFDHSOPMCVDVJG-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxylic acid
CID 18526453
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
3-(1,3-benzothiazol-2-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 8590097
1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 9238411
1-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 63249392
N-(1-benzylpiperidin-4-yl)-2-thiophen-2-yl-1,3-benzothiazole-6-carboxamide
CID 117088807
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 9238768
N-cyclopropyl-4-(thiophene-2-carbonylamino)piperidine-1-carboxamide
CID 47386196
5-(1,3-benzothiazol-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 55951601
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 112798567
N-(1-ethylsulfonylpiperidin-4-yl)thiophene-2-carboxamide
CID 47150062

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 47073484) is N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(Cc2nc3ccccc3s2)CC1)c1cccs1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is PFDHSOPMCVDVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c22-18(16-6-3-11-23-16)19-13-7-9-21(10-8-13)12-17-20-14-4-1-2-5-15(14)24-17/h1-6,11,13H,7-10,12H2,(H,19,22).
What are the key properties of N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47073484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).