2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C12H14F3N5S — CID 18681498

IUPAC2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(C(C)C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H14F3N5S/c1-3-20(8-5-4-6-21-8)11-18-9(17-10(16)19-11)7(2)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKAVYPMMPERPTTH-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.34
Rot. Bonds4

About 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18681498) has the molecular formula C12H14F3N5S and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18681498
Molecular FormulaC12H14F3N5S
Molecular Weight317.34 g/mol
Exact Mass317.09
IUPAC Name2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(C(C)C(F)(F)F)n1)c1cccs1
InChIInChI=1S/C12H14F3N5S/c1-3-20(8-5-4-6-21-8)11-18-9(17-10(16)19-11)7(2)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19)
InChIKeyKAVYPMMPERPTTH-UHFFFAOYSA-N
XLogP3.34
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 18681498) is 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CCN(c1nc(N)nc(C(C)C(F)(F)F)n1)c1cccs1.
What is the InChIKey of 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KAVYPMMPERPTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5S/c1-3-20(8-5-4-6-21-8)11-18-9(17-10(16)19-11)7(2)12(13,14)15/h4-7H,3H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18681498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).