N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

C17H15F2N3OS2 — CID 50841141

IUPACN-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H15F2N3OS2/c18-11-5-4-10(8-12(11)19)20-15(23)14-9-13-16(24-14)25-17(21-13)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,20,23)
InChIKeyARYADVNNUGAVTM-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.88
Rot. Bonds3

About N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide

N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841141) has the molecular formula C17H15F2N3OS2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841141
Molecular FormulaC17H15F2N3OS2
Molecular Weight379.46 g/mol
Exact Mass379.06
IUPAC NameN-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H15F2N3OS2/c18-11-5-4-10(8-12(11)19)20-15(23)14-9-13-16(24-14)25-17(21-13)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,20,23)
InChIKeyARYADVNNUGAVTM-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841141) is N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is ARYADVNNUGAVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3OS2/c18-11-5-4-10(8-12(11)19)20-15(23)14-9-13-16(24-14)25-17(21-13)22-6-2-1-3-7-22/h4-5,8-9H,1-3,6-7H2,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).