5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile

C11H12F3N3S — CID 44597035

IUPAC5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nsc1NC1CCCCC1
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)9-8(6-15)10(18-17-9)16-7-4-2-1-3-5-7/h7,16H,1-5H2
InChIKeyCORFCCXTKQJMOB-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.78
Rot. Bonds2

About 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile

5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile (PubChem CID 44597035) has the molecular formula C11H12F3N3S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile
PubChem CID44597035
Molecular FormulaC11H12F3N3S
Molecular Weight275.30 g/mol
Exact Mass275.07
IUPAC Name5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nsc1NC1CCCCC1
InChIInChI=1S/C11H12F3N3S/c12-11(13,14)9-8(6-15)10(18-17-9)16-7-4-2-1-3-5-7/h7,16H,1-5H2
InChIKeyCORFCCXTKQJMOB-UHFFFAOYSA-N
XLogP3.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile (CID 44597035) is 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nsc1NC1CCCCC1.
What is the InChIKey of 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is CORFCCXTKQJMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S/c12-11(13,14)9-8(6-15)10(18-17-9)16-7-4-2-1-3-5-7/h7,16H,1-5H2.
What are the key properties of 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile?
5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 275.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-3-(trifluoromethyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 44597035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).