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

C18H23N3O2S2 — CID 53149440

IUPAC2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)16(22)19-9-14-11-25-17(20-14)13-5-3-7-21(10-13)18(23)15-6-4-8-24-15/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,22)
InChIKeyQHCLYMJPTWTOQU-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.50
Rot. Bonds5

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

2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 53149440) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID53149440
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)16(22)19-9-14-11-25-17(20-14)13-5-3-7-21(10-13)18(23)15-6-4-8-24-15/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,22)
InChIKeyQHCLYMJPTWTOQU-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.50
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}-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-(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 53149440) is 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is CC(C)C(=O)NCc1csc(C2CCCN(C(=O)c3cccs3)C2)n1.
What is the InChIKey of 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is QHCLYMJPTWTOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-12(2)16(22)19-9-14-11-25-17(20-14)13-5-3-7-21(10-13)18(23)15-6-4-8-24-15/h4,6,8,11-13H,3,5,7,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide?
2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 377.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[1-(thiophene-2-carbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 53149440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).