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

C13H13F3N4OS2 — CID 155502992

IUPAC4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C13H13F3N4OS2/c1-2-8-9(11(21)19-6-7-22-13(14,15)16)23-12(20-8)10-17-4-3-5-18-10/h3-5H,2,6-7H2,1H3,(H,19,21)
InChIKeyGKCQYRIUPQQZHK-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.15
Rot. Bonds6

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

4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 155502992) has the molecular formula C13H13F3N4OS2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID155502992
Molecular FormulaC13H13F3N4OS2
Molecular Weight362.40 g/mol
Exact Mass362.05
IUPAC Name4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ncccn2)sc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C13H13F3N4OS2/c1-2-8-9(11(21)19-6-7-22-13(14,15)16)23-12(20-8)10-17-4-3-5-18-10/h3-5H,2,6-7H2,1H3,(H,19,21)
InChIKeyGKCQYRIUPQQZHK-UHFFFAOYSA-N
XLogP3.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide (CID 155502992) is 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide is CCc1nc(-c2ncccn2)sc1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GKCQYRIUPQQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4OS2/c1-2-8-9(11(21)19-6-7-22-13(14,15)16)23-12(20-8)10-17-4-3-5-18-10/h3-5H,2,6-7H2,1H3,(H,19,21).
What are the key properties of 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide?
4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyrimidin-2-yl-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155502992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).