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

C19H25N3O2S2 — CID 53149509

IUPAC2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C19H25N3O2S2/c1-13(2)17(23)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,3-5,7-9H2,1-2H3,(H,20,23)
InChIKeyNZBPIRDTJSMCNH-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.54
Rot. Bonds6

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

2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 53149509) has the molecular formula C19H25N3O2S2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID53149509
Molecular FormulaC19H25N3O2S2
Molecular Weight391.56 g/mol
Exact Mass391.14
IUPAC Name2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1
InChIInChI=1S/C19H25N3O2S2/c1-13(2)17(23)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,3-5,7-9H2,1-2H3,(H,20,23)
InChIKeyNZBPIRDTJSMCNH-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 53149509) is 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CC(C)C(=O)NCCc1csc(C2CCN(C(=O)c3ccsc3)CC2)n1.
What is the InChIKey of 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is NZBPIRDTJSMCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S2/c1-13(2)17(23)20-7-3-16-12-26-18(21-16)14-4-8-22(9-5-14)19(24)15-6-10-25-11-15/h6,10-14H,3-5,7-9H2,1-2H3,(H,20,23).
What are the key properties of 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 391.56 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[1-(thiophene-3-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 53149509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).