5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile

C10H6F3N5OS — CID 58712525

IUPAC5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(Nc2s[nH]c(=O)c2C#N)n1
InChIInChI=1S/C10H6F3N5OS/c1-4-2-6(10(11,12)13)16-9(15-4)17-8-5(3-14)7(19)18-20-8/h2H,1H3,(H,18,19)(H,15,16,17)
InChIKeyQHHOMUMEBXQIKI-UHFFFAOYSA-N
MW301.25 g/mol
LogP2.17
Rot. Bonds2

About 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile

5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 58712525) has the molecular formula C10H6F3N5OS and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID58712525
Molecular FormulaC10H6F3N5OS
Molecular Weight301.25 g/mol
Exact Mass301.02
IUPAC Name5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESCc1cc(C(F)(F)F)nc(Nc2s[nH]c(=O)c2C#N)n1
InChIInChI=1S/C10H6F3N5OS/c1-4-2-6(10(11,12)13)16-9(15-4)17-8-5(3-14)7(19)18-20-8/h2H,1H3,(H,18,19)(H,15,16,17)
InChIKeyQHHOMUMEBXQIKI-UHFFFAOYSA-N
XLogP2.17
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile (CID 58712525) is 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile is Cc1cc(C(F)(F)F)nc(Nc2s[nH]c(=O)c2C#N)n1.
What is the InChIKey of 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is QHHOMUMEBXQIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5OS/c1-4-2-6(10(11,12)13)16-9(15-4)17-8-5(3-14)7(19)18-20-8/h2H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 301.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 58712525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).