2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

C10H5F3N4S — CID 18506909

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C10H5F3N4S/c11-10(12,13)6-1-2-8(15-4-6)17-9-16-5-7(3-14)18-9/h1-2,4-5H,(H,15,16,17)
InChIKeyLMSFZVOZNRYJFM-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.17
Rot. Bonds2

About 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile

2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (PubChem CID 18506909) has the molecular formula C10H5F3N4S and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
PubChem CID18506909
Molecular FormulaC10H5F3N4S
Molecular Weight270.24 g/mol
Exact Mass270.02
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile
SMILESN#Cc1cnc(Nc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C10H5F3N4S/c11-10(12,13)6-1-2-8(15-4-6)17-9-16-5-7(3-14)18-9/h1-2,4-5H,(H,15,16,17)
InChIKeyLMSFZVOZNRYJFM-UHFFFAOYSA-N
XLogP3.17
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile (CID 18506909) is 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is N#Cc1cnc(Nc2ccc(C(F)(F)F)cn2)s1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
The InChIKey is LMSFZVOZNRYJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4S/c11-10(12,13)6-1-2-8(15-4-6)17-9-16-5-7(3-14)18-9/h1-2,4-5H,(H,15,16,17).
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile?
2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]amino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 18506909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).