N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C21H24F3N5S — CID 66748167

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cnc3sc(NCC4CCN(CC5CC5)CC4)nn23)c1
InChIInChI=1S/C21H24F3N5S/c22-21(23,24)17-3-1-2-16(10-17)18-12-26-20-29(18)27-19(30-20)25-11-14-6-8-28(9-7-14)13-15-4-5-15/h1-3,10,12,14-15H,4-9,11,13H2,(H,25,27)
InChIKeyVUOLPNFACLIRJL-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.01
Rot. Bonds6

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 66748167) has the molecular formula C21H24F3N5S and a molecular weight of 435.52 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID66748167
Molecular FormulaC21H24F3N5S
Molecular Weight435.52 g/mol
Exact Mass435.17
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESFC(F)(F)c1cccc(-c2cnc3sc(NCC4CCN(CC5CC5)CC4)nn23)c1
InChIInChI=1S/C21H24F3N5S/c22-21(23,24)17-3-1-2-16(10-17)18-12-26-20-29(18)27-19(30-20)25-11-14-6-8-28(9-7-14)13-15-4-5-15/h1-3,10,12,14-15H,4-9,11,13H2,(H,25,27)
InChIKeyVUOLPNFACLIRJL-UHFFFAOYSA-N
XLogP5.01
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 66748167) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is FC(F)(F)c1cccc(-c2cnc3sc(NCC4CCN(CC5CC5)CC4)nn23)c1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is VUOLPNFACLIRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5S/c22-21(23,24)17-3-1-2-16(10-17)18-12-26-20-29(18)27-19(30-20)25-11-14-6-8-28(9-7-14)13-15-4-5-15/h1-3,10,12,14-15H,4-9,11,13H2,(H,25,27).
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 435.52 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 66748167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).