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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Related Compounds

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CID 58712237
CID 58712237
CID 58712240
CID 58712240
CID 58712280
CID 58712280
CID 58712345
CID 58712345
CID 58712367
CID 58712367
CID 58712445
CID 58712445
CID 58712455
CID 58712455
CID 66021877
CID 66021877
CID 155981641
CID 155981641
CID 14973353
CID 14973353

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).