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

C17H18N4S2 — CID 155310989

IUPACN'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide
SMILESN/C(=N\c1ccccc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H18N4S2/c18-15(19-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(20-13)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,18,19)
InChIKeyQUBNUVCSRNICED-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.39
Rot. Bonds3

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

N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide (PubChem CID 155310989) has the molecular formula C17H18N4S2 and a molecular weight of 342.49 g/mol. Its IUPAC name is N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide.

Molecular Properties

Compound NameN'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide
PubChem CID155310989
Molecular FormulaC17H18N4S2
Molecular Weight342.49 g/mol
Exact Mass342.10
IUPAC NameN'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide
SMILESN/C(=N\c1ccccc1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H18N4S2/c18-15(19-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(20-13)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,18,19)
InChIKeyQUBNUVCSRNICED-UHFFFAOYSA-N
XLogP4.39
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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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-carboximidamide?
The IUPAC name of N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide (CID 155310989) is N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide.
What is the SMILES notation for N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide?
The canonical SMILES for N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide is N/C(=N\c1ccccc1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide?
The InChIKey is QUBNUVCSRNICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S2/c18-15(19-12-7-3-1-4-8-12)14-11-13-16(22-14)23-17(20-13)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H2,18,19).
What are the key properties of N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide?
N'-phenyl-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboximidamide has a molecular weight of 342.49 g/mol, XLogP of 4.39, 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-carboximidamide is sourced from PubChem (CID 155310989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).