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

C10H3F6N5OS — CID 58712445

IUPAC5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)s[nH]c1=O
InChIInChI=1S/C10H3F6N5OS/c11-9(12,13)4-1-5(10(14,15)16)19-8(18-4)20-7-3(2-17)6(22)21-23-7/h1H,(H,21,22)(H,18,19,20)
InChIKeyMFBVRXQEQORFIQ-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.88
Rot. Bonds2

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

5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile (PubChem CID 58712445) has the molecular formula C10H3F6N5OS and a molecular weight of 355.22 g/mol. Its IUPAC name is 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
PubChem CID58712445
Molecular FormulaC10H3F6N5OS
Molecular Weight355.22 g/mol
Exact Mass355.00
IUPAC Name5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)s[nH]c1=O
InChIInChI=1S/C10H3F6N5OS/c11-9(12,13)4-1-5(10(14,15)16)19-8(18-4)20-7-3(2-17)6(22)21-23-7/h1H,(H,21,22)(H,18,19,20)
InChIKeyMFBVRXQEQORFIQ-UHFFFAOYSA-N
XLogP2.88
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile (CID 58712445) is 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile is N#Cc1c(Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)s[nH]c1=O.
What is the InChIKey of 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
The InChIKey is MFBVRXQEQORFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3F6N5OS/c11-9(12,13)4-1-5(10(14,15)16)19-8(18-4)20-7-3(2-17)6(22)21-23-7/h1H,(H,21,22)(H,18,19,20).
What are the key properties of 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile?
5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile has a molecular weight of 355.22 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4,6-bis(trifluoromethyl)pyrimidin-2-yl]amino]-3-oxo-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 58712445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).