5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

C21H24F3N7S — CID 118507180

IUPAC5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)13-30-7-9-31(10-8-30)15-11-17-16(25-12-15)5-6-18(26-17)27-20-29-28-19(32-20)14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10,13H2,(H,26,27,29)
InChIKeyDVGMCVQCOUORSZ-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.57
Rot. Bonds5

About 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine

5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 118507180) has the molecular formula C21H24F3N7S and a molecular weight of 463.53 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID118507180
Molecular FormulaC21H24F3N7S
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)(F)CN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)13-30-7-9-31(10-8-30)15-11-17-16(25-12-15)5-6-18(26-17)27-20-29-28-19(32-20)14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10,13H2,(H,26,27,29)
InChIKeyDVGMCVQCOUORSZ-UHFFFAOYSA-N
XLogP4.57
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118503874
5-cyclopentyl-N-[7-[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118497370
6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-ol
CID 136929515
1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
CID 90288026
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylpyrazol-4-yl)-1,5-naphthyridine-2,7-diamine
CID 118503944
5-cyclopentyl-N-[7-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
CID 118503901
7-N-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-1,5-naphthyridine-2,7-diamine
CID 118503889
5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288286
5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288369
5-cyclopentyl-N-(7-piperidin-4-yl-1,5-naphthyridin-2-yl)-1,3,4-thiadiazol-2-amine;1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperidin-1-yl]ethanone
CID 158697925
N-[7-[(Z)-3-amino-1-iminobut-2-en-2-yl]-1,5-naphthyridin-2-yl]-5-cyclopentyl-1,3,4-thiadiazol-2-amine
CID 90288215

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 118507180) is 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is FC(F)(F)CN1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CC1.
What is the InChIKey of 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is DVGMCVQCOUORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N7S/c22-21(23,24)13-30-7-9-31(10-8-30)15-11-17-16(25-12-15)5-6-18(26-17)27-20-29-28-19(32-20)14-3-1-2-4-14/h5-6,11-12,14H,1-4,7-10,13H2,(H,26,27,29).
What are the key properties of 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 463.53 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 118507180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).