2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C15H16ClF2N3OS2 — CID 49072289

IUPAC2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H16ClF2N3OS2/c16-12-2-1-11(24-12)15-20-10(8-23-15)14(22)19-9-3-5-21(6-4-9)7-13(17)18/h1-2,8-9,13H,3-7H2,(H,19,22)
InChIKeyJZCOTVVBEUZKPP-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.98
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 49072289) has the molecular formula C15H16ClF2N3OS2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID49072289
Molecular FormulaC15H16ClF2N3OS2
Molecular Weight391.90 g/mol
Exact Mass391.04
IUPAC Name2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C15H16ClF2N3OS2/c16-12-2-1-11(24-12)15-20-10(8-23-15)14(22)19-9-3-5-21(6-4-9)7-13(17)18/h1-2,8-9,13H,3-7H2,(H,19,22)
InChIKeyJZCOTVVBEUZKPP-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 49072289) is 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CCN(CC(F)F)CC1)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is JZCOTVVBEUZKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3OS2/c16-12-2-1-11(24-12)15-20-10(8-23-15)14(22)19-9-3-5-21(6-4-9)7-13(17)18/h1-2,8-9,13H,3-7H2,(H,19,22).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 49072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).