2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine

C21H27N7O2S2 — CID 118503901

IUPAC2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCS(=O)(=O)N1CCCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)C1
InChIInChI=1S/C21H27N7O2S2/c1-32(29,30)28-10-4-7-15(13-28)23-16-11-18-17(22-12-16)8-9-19(24-18)25-21-27-26-20(31-21)14-5-2-3-6-14/h8-9,11-12,14-15,23H,2-7,10,13H2,1H3,(H,24,25,27)
InChIKeyYYKACJGLOBZSBK-UHFFFAOYSA-N
MW473.63 g/mol
LogP3.72
Rot. Bonds6

About 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine

2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118503901) has the molecular formula C21H27N7O2S2 and a molecular weight of 473.63 g/mol. Its IUPAC name is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID118503901
Molecular FormulaC21H27N7O2S2
Molecular Weight473.63 g/mol
Exact Mass473.17
IUPAC Name2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCS(=O)(=O)N1CCCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)C1
InChIInChI=1S/C21H27N7O2S2/c1-32(29,30)28-10-4-7-15(13-28)23-16-11-18-17(22-12-16)8-9-19(24-18)25-21-27-26-20(31-21)14-5-2-3-6-14/h8-9,11-12,14-15,23H,2-7,10,13H2,1H3,(H,24,25,27)
InChIKeyYYKACJGLOBZSBK-UHFFFAOYSA-N
XLogP3.72
TPSA113.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
1-[4-[6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanone
CID 118503874
6-[(5-cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-ol
CID 136929515
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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 118507180
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
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-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
CID 90288273
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

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine (CID 118503901) is 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine is CS(=O)(=O)N1CCCC(Nc2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)C1.
What is the InChIKey of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is YYKACJGLOBZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2S2/c1-32(29,30)28-10-4-7-15(13-28)23-16-11-18-17(22-12-16)8-9-19(24-18)25-21-27-26-20(31-21)14-5-2-3-6-14/h8-9,11-12,14-15,23H,2-7,10,13H2,1H3,(H,24,25,27).
What are the key properties of 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine?
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 473.63 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(1-methylsulfonylpiperidin-3-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118503901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).