N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C18H24N4OS2 — CID 20885164

IUPACN-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CC(C)CN(c2nnc(NC(=O)c3csc4c3CCCC4)s2)C1
InChIInChI=1S/C18H24N4OS2/c1-11-7-12(2)9-22(8-11)18-21-20-17(25-18)19-16(23)14-10-24-15-6-4-3-5-13(14)15/h10-12H,3-9H2,1-2H3,(H,19,20,23)
InChIKeyKHVXJEVCVHTMIA-UHFFFAOYSA-N
MW376.55 g/mol
LogP4.21
Rot. Bonds3

About N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 20885164) has the molecular formula C18H24N4OS2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID20885164
Molecular FormulaC18H24N4OS2
Molecular Weight376.55 g/mol
Exact Mass376.14
IUPAC NameN-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CC(C)CN(c2nnc(NC(=O)c3csc4c3CCCC4)s2)C1
InChIInChI=1S/C18H24N4OS2/c1-11-7-12(2)9-22(8-11)18-21-20-17(25-18)19-16(23)14-10-24-15-6-4-3-5-13(14)15/h10-12H,3-9H2,1-2H3,(H,19,20,23)
InChIKeyKHVXJEVCVHTMIA-UHFFFAOYSA-N
XLogP4.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 20885164) is N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CC(C)CN(c2nnc(NC(=O)c3csc4c3CCCC4)s2)C1.
What is the InChIKey of N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is KHVXJEVCVHTMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS2/c1-11-7-12(2)9-22(8-11)18-21-20-17(25-18)19-16(23)14-10-24-15-6-4-3-5-13(14)15/h10-12H,3-9H2,1-2H3,(H,19,20,23).
What are the key properties of N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 376.55 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 20885164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).