N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide

C18H23N3O2S2 — CID 71830311

IUPACN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C18H23N3O2S2/c1-2-16(22)19-8-5-14-12-25-17(20-14)13-6-9-21(10-7-13)18(23)15-4-3-11-24-15/h3-4,11-13H,2,5-10H2,1H3,(H,19,22)
InChIKeyUOGUTELVIUUXLA-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.29
Rot. Bonds6

About N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide

N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71830311) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71830311
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C18H23N3O2S2/c1-2-16(22)19-8-5-14-12-25-17(20-14)13-6-9-21(10-7-13)18(23)15-4-3-11-24-15/h3-4,11-13H,2,5-10H2,1H3,(H,19,22)
InChIKeyUOGUTELVIUUXLA-UHFFFAOYSA-N
XLogP3.29
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7216615
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-2-carboxamide
CID 5310230
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 123844711
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 3244736
N-{2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl}thiophene-2-carboxamide
CID 7522068
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 54773766
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127045643
N-[2-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047376
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 127047377
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 127047450
N-(2-(2-phenylthiazol-4-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 7119102
N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 118524461

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71830311) is N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is UOGUTELVIUUXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-2-16(22)19-8-5-14-12-25-17(20-14)13-6-9-21(10-7-13)18(23)15-4-3-11-24-15/h3-4,11-13H,2,5-10H2,1H3,(H,19,22).
What are the key properties of N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 377.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71830311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).