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

C22H21N5OS — CID 90288369

IUPAC5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(-c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C22H21N5OS/c1-28-17-8-4-7-15(11-17)16-12-19-18(23-13-16)9-10-20(24-19)25-22-27-26-21(29-22)14-5-2-3-6-14/h4,7-14H,2-3,5-6H2,1H3,(H,24,25,27)
InChIKeyCDNJKFSBJGETPL-UHFFFAOYSA-N
MW403.51 g/mol
LogP5.56
Rot. Bonds5

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

5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90288369) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90288369
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(-c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1
InChIInChI=1S/C22H21N5OS/c1-28-17-8-4-7-15(11-17)16-12-19-18(23-13-16)9-10-20(24-19)25-22-27-26-21(29-22)14-5-2-3-6-14/h4,7-14H,2-3,5-6H2,1H3,(H,24,25,27)
InChIKeyCDNJKFSBJGETPL-UHFFFAOYSA-N
XLogP5.56
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-ol
CID 136929515
5-cyclopentyl-N-[7-(3,6-dihydro-2H-pyran-4-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288286
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
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
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
1-[4-[[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]amino]piperidin-1-yl]ethanone
CID 90288026
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-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
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
CID 118503901
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90288369) is 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is COc1cccc(-c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)c1.
What is the InChIKey of 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CDNJKFSBJGETPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-28-17-8-4-7-15(11-17)16-12-19-18(23-13-16)9-10-20(24-19)25-22-27-26-21(29-22)14-5-2-3-6-14/h4,7-14H,2-3,5-6H2,1H3,(H,24,25,27).
What are the key properties of 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 403.51 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-N-[7-(3-methoxyphenyl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90288369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).