N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

C17H17N3OS2 — CID 50841047

IUPACN-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H17N3OS2/c21-15(18-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(19-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,21)
InChIKeyUSSKGHRHRNRXMK-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.60
Rot. Bonds3

About N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841047) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841047
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC NameN-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H17N3OS2/c21-15(18-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(19-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,21)
InChIKeyUSSKGHRHRNRXMK-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841047) is N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccccc1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is USSKGHRHRNRXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c21-15(18-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(19-13)20-9-5-2-6-10-20/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,21).
What are the key properties of N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).