4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C14H16F3N3S — CID 103379725

IUPAC4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H16F3N3S/c1-2-8-20(9-14(15,16)17)13-11(12(18)19-21-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,18,19)
InChIKeyPNGMOENOTBQWHM-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.17
Rot. Bonds5

About 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103379725) has the molecular formula C14H16F3N3S and a molecular weight of 315.36 g/mol. Its IUPAC name is 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103379725
Molecular FormulaC14H16F3N3S
Molecular Weight315.36 g/mol
Exact Mass315.10
IUPAC Name4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H16F3N3S/c1-2-8-20(9-14(15,16)17)13-11(12(18)19-21-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,18,19)
InChIKeyPNGMOENOTBQWHM-UHFFFAOYSA-N
XLogP4.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103379725) is 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCCN(CC(F)(F)F)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is PNGMOENOTBQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3S/c1-2-8-20(9-14(15,16)17)13-11(12(18)19-21-13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,18,19).
What are the key properties of 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 315.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103379725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).