2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C10H7F3N4O2S2 — CID 135561690

IUPAC2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1nccs1
InChIInChI=1S/C10H7F3N4O2S2/c11-10(12,13)5-3-6(18)16-9(15-5)21-4-7(19)17-8-14-1-2-20-8/h1-3H,4H2,(H,14,17,19)(H,15,16,18)
InChIKeyHUDUIIMMPIQZLE-UHFFFAOYSA-N
MW336.32 g/mol
LogP1.98
Rot. Bonds4

About 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 135561690) has the molecular formula C10H7F3N4O2S2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID135561690
Molecular FormulaC10H7F3N4O2S2
Molecular Weight336.32 g/mol
Exact Mass336.00
IUPAC Name2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1nccs1
InChIInChI=1S/C10H7F3N4O2S2/c11-10(12,13)5-3-6(18)16-9(15-5)21-4-7(19)17-8-14-1-2-20-8/h1-3H,4H2,(H,14,17,19)(H,15,16,18)
InChIKeyHUDUIIMMPIQZLE-UHFFFAOYSA-N
XLogP1.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 135561690) is 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSc1nc(C(F)(F)F)cc(=O)[nH]1)Nc1nccs1.
What is the InChIKey of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HUDUIIMMPIQZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2S2/c11-10(12,13)5-3-6(18)16-9(15-5)21-4-7(19)17-8-14-1-2-20-8/h1-3H,4H2,(H,14,17,19)(H,15,16,18).
What are the key properties of 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 336.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135561690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).