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

C17H21N3O2S2 — CID 71842220

IUPACN-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C17H21N3O2S2/c1-2-15(21)18-10-13-11-24-16(19-13)12-5-7-20(8-6-12)17(22)14-4-3-9-23-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,18,21)
InChIKeyKSVIIBFHKHMJRW-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.25
Rot. Bonds5

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

N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71842220) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71842220
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1
InChIInChI=1S/C17H21N3O2S2/c1-2-15(21)18-10-13-11-24-16(19-13)12-5-7-20(8-6-12)17(22)14-4-3-9-23-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,18,21)
InChIKeyKSVIIBFHKHMJRW-UHFFFAOYSA-N
XLogP3.25
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.25
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-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-thiophenecarboxamide
CID 2738823
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-thienyl)-1,3-thiazol-4-yl]methyl}cyclopropanecarboxamide
CID 2738812
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-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 91800695
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 127047450
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclohexanecarboxamide
CID 2738811
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}benzamide
CID 2738828

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71842220) is N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(C(=O)c3cccs3)CC2)n1.
What is the InChIKey of N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is KSVIIBFHKHMJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-2-15(21)18-10-13-11-24-16(19-13)12-5-7-20(8-6-12)17(22)14-4-3-9-23-14/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,18,21).
What are the key properties of N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 363.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71842220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).