N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

C17H14F2N4O2S — CID 118305549

IUPACN-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C17H14F2N4O2S/c1-2-12-13(26-16(23-12)14-20-7-4-8-21-14)15(24)22-10-5-3-6-11(9-10)25-17(18)19/h3-9,17H,2H2,1H3,(H,22,24)
InChIKeyUXFAHDLZDIEBFZ-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.02
Rot. Bonds6

About N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 118305549) has the molecular formula C17H14F2N4O2S and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID118305549
Molecular FormulaC17H14F2N4O2S
Molecular Weight376.39 g/mol
Exact Mass376.08
IUPAC NameN-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C17H14F2N4O2S/c1-2-12-13(26-16(23-12)14-20-7-4-8-21-14)15(24)22-10-5-3-6-11(9-10)25-17(18)19/h3-9,17H,2H2,1H3,(H,22,24)
InChIKeyUXFAHDLZDIEBFZ-UHFFFAOYSA-N
XLogP4.02
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide (CID 118305549) is N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UXFAHDLZDIEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O2S/c1-2-12-13(26-16(23-12)14-20-7-4-8-21-14)15(24)22-10-5-3-6-11(9-10)25-17(18)19/h3-9,17H,2H2,1H3,(H,22,24).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide?
N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118305549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).