N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C16H17F3N6S — CID 126889714

IUPACN-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3cn4ccsc4n3)CC2)ncn1
InChIInChI=1S/C16H17F3N6S/c17-16(18,19)13-7-14(21-10-20-13)22-11-1-3-24(4-2-11)8-12-9-25-5-6-26-15(25)23-12/h5-7,9-11H,1-4,8H2,(H,20,21,22)
InChIKeyIMLMCMYAOCLPMP-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.28
Rot. Bonds4

About N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889714) has the molecular formula C16H17F3N6S and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889714
Molecular FormulaC16H17F3N6S
Molecular Weight382.42 g/mol
Exact Mass382.12
IUPAC NameN-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(Cc3cn4ccsc4n3)CC2)ncn1
InChIInChI=1S/C16H17F3N6S/c17-16(18,19)13-7-14(21-10-20-13)22-11-1-3-24(4-2-11)8-12-9-25-5-6-26-15(25)23-12/h5-7,9-11H,1-4,8H2,(H,20,21,22)
InChIKeyIMLMCMYAOCLPMP-UHFFFAOYSA-N
XLogP3.28
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889714) is N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(Cc3cn4ccsc4n3)CC2)ncn1.
What is the InChIKey of N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IMLMCMYAOCLPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N6S/c17-16(18,19)13-7-14(21-10-20-13)22-11-1-3-24(4-2-11)8-12-9-25-5-6-26-15(25)23-12/h5-7,9-11H,1-4,8H2,(H,20,21,22).
What are the key properties of N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 382.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).