N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide

C18H18N4OS2 — CID 131702121

IUPACN-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide
SMILESO=C(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C18H18N4OS2/c23-18(14-3-1-13(2-4-14)15-7-10-24-12-15)20-16-5-8-22(9-6-16)17-11-19-25-21-17/h1-4,7,10-12,16H,5-6,8-9H2,(H,20,23)
InChIKeyZZGZZQXZWTZAHK-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.67
Rot. Bonds4

About N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide

N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide (PubChem CID 131702121) has the molecular formula C18H18N4OS2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide
PubChem CID131702121
Molecular FormulaC18H18N4OS2
Molecular Weight370.50 g/mol
Exact Mass370.09
IUPAC NameN-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide
SMILESO=C(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C18H18N4OS2/c23-18(14-3-1-13(2-4-14)15-7-10-24-12-15)20-16-5-8-22(9-6-16)17-11-19-25-21-17/h1-4,7,10-12,16H,5-6,8-9H2,(H,20,23)
InChIKeyZZGZZQXZWTZAHK-UHFFFAOYSA-N
XLogP3.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-thiophen-3-ylbenzamide
CID 20974787
N-cyclohexyl-4-thiophen-3-ylbenzamide
CID 20974786
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 126851164
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
3-fluoro-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 126853296
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
N-[(4aR,6R,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl]-4-thiophen-3-ylbenzamide
CID 124892419
1-(2-phenylethyl)-3-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]urea
CID 122245095
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 126775320
2,4,5-trifluoro-3-methoxy-N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]benzamide
CID 122245092

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide (CID 131702121) is N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide is O=C(NC1CCN(c2cnsn2)CC1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide?
The InChIKey is ZZGZZQXZWTZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS2/c23-18(14-3-1-13(2-4-14)15-7-10-24-12-15)20-16-5-8-22(9-6-16)17-11-19-25-21-17/h1-4,7,10-12,16H,5-6,8-9H2,(H,20,23).
What are the key properties of N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide?
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide has a molecular weight of 370.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 131702121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).