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

C17H16FN3OS2 — CID 50841045

IUPACN-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H16FN3OS2/c18-11-5-4-6-12(9-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8H2,(H,19,22)
InChIKeyHUFLBOBQXDNOHT-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.74
Rot. Bonds3

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

N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (PubChem CID 50841045) has the molecular formula C17H16FN3OS2 and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
PubChem CID50841045
Molecular FormulaC17H16FN3OS2
Molecular Weight361.47 g/mol
Exact Mass361.07
IUPAC NameN-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1cc2nc(N3CCCCC3)sc2s1
InChIInChI=1S/C17H16FN3OS2/c18-11-5-4-6-12(9-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8H2,(H,19,22)
InChIKeyHUFLBOBQXDNOHT-UHFFFAOYSA-N
XLogP4.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide (CID 50841045) is N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is O=C(Nc1cccc(F)c1)c1cc2nc(N3CCCCC3)sc2s1.
What is the InChIKey of N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
The InChIKey is HUFLBOBQXDNOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS2/c18-11-5-4-6-12(9-11)19-15(22)14-10-13-16(23-14)24-17(20-13)21-7-2-1-3-8-21/h4-6,9-10H,1-3,7-8H2,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide?
N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-piperidin-1-ylthieno[3,2-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 50841045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).