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

C18H19N3OS2 — CID 73167636

IUPACN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccsc1
InChIInChI=1S/C18H19N3OS2/c22-17(14-7-10-23-12-14)19-11-13-5-8-21(9-6-13)18-20-15-3-1-2-4-16(15)24-18/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22)
InChIKeyHNJZZCFLKOVKSO-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.00
Rot. Bonds4

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

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide (PubChem CID 73167636) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide
PubChem CID73167636
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccsc1
InChIInChI=1S/C18H19N3OS2/c22-17(14-7-10-23-12-14)19-11-13-5-8-21(9-6-13)18-20-15-3-1-2-4-16(15)24-18/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22)
InChIKeyHNJZZCFLKOVKSO-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide (CID 73167636) is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide is O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccsc1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
The InChIKey is HNJZZCFLKOVKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c22-17(14-7-10-23-12-14)19-11-13-5-8-21(9-6-13)18-20-15-3-1-2-4-16(15)24-18/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,19,22).
What are the key properties of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide?
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 4.00, 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-yl)piperidin-4-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 73167636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).