N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C14H17F3N6S — CID 133492505

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cc(N2CCC(Nc3nnc(C(F)(F)F)s3)CC2)ncn1
InChIInChI=1S/C14H17F3N6S/c1-2-9-7-11(19-8-18-9)23-5-3-10(4-6-23)20-13-22-21-12(24-13)14(15,16)17/h7-8,10H,2-6H2,1H3,(H,20,22)
InChIKeyAAKATLYLMTYIDD-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.99
Rot. Bonds4

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133492505) has the molecular formula C14H17F3N6S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133492505
Molecular FormulaC14H17F3N6S
Molecular Weight358.39 g/mol
Exact Mass358.12
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESCCc1cc(N2CCC(Nc3nnc(C(F)(F)F)s3)CC2)ncn1
InChIInChI=1S/C14H17F3N6S/c1-2-9-7-11(19-8-18-9)23-5-3-10(4-6-23)20-13-22-21-12(24-13)14(15,16)17/h7-8,10H,2-6H2,1H3,(H,20,22)
InChIKeyAAKATLYLMTYIDD-UHFFFAOYSA-N
XLogP2.99
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 133492505) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is CCc1cc(N2CCC(Nc3nnc(C(F)(F)F)s3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AAKATLYLMTYIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6S/c1-2-9-7-11(19-8-18-9)23-5-3-10(4-6-23)20-13-22-21-12(24-13)14(15,16)17/h7-8,10H,2-6H2,1H3,(H,20,22).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 358.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133492505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).