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

C20H24N6OS — CID 118497565

IUPAC3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCN(c1cnc2cc(-c3nnc(C4CCCC4)s3)c(N)nc2c1)C1CCOC1
InChIInChI=1S/C20H24N6OS/c1-26(13-6-7-27-11-13)14-8-17-16(22-10-14)9-15(18(21)23-17)20-25-24-19(28-20)12-4-2-3-5-12/h8-10,12-13H,2-7,11H2,1H3,(H2,21,23)
InChIKeyPTOLLIOTTKOIPX-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.61
Rot. Bonds4

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

3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine (PubChem CID 118497565) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine
PubChem CID118497565
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine
SMILESCN(c1cnc2cc(-c3nnc(C4CCCC4)s3)c(N)nc2c1)C1CCOC1
InChIInChI=1S/C20H24N6OS/c1-26(13-6-7-27-11-13)14-8-17-16(22-10-14)9-15(18(21)23-17)20-25-24-19(28-20)12-4-2-3-5-12/h8-10,12-13H,2-7,11H2,1H3,(H2,21,23)
InChIKeyPTOLLIOTTKOIPX-UHFFFAOYSA-N
XLogP3.61
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-4-[4-(2,5-dimethylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 118869427
4-(5-methylthiophen-2-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118869539
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(thian-4-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869593
2-[(3R)-3-methylmorpholin-4-yl]-4-(5-methyl-2-thienyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 118890530
4-(4-methylthiophen-3-yl)-2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
CID 122585615
1-Cyclopentyl-3-[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]thiourea
CID 90164335
7-[1-(2-Morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90164336
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(6-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
CID 90287815
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-(5-morpholin-4-yl-3-pyridinyl)-1,5-naphthyridine-2,7-diamine
CID 90287831
2-N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-[4-(2-morpholin-4-ylethyl)phenyl]-1,5-naphthyridine-2,7-diamine
CID 90287838
2-[4-[6-[(5-Cyclopentyl-1,3,4-thiadiazol-2-yl)amino]-1,5-naphthyridin-3-yl]piperazin-1-yl]ethanol
CID 90287938
5-cyclopentyl-N-[7-(1-methyl-3-propylpyrazol-4-yl)-1,5-naphthyridin-2-yl]-N-(2-trimethylsilylethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 90287996

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine (CID 118497565) is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine is CN(c1cnc2cc(-c3nnc(C4CCCC4)s3)c(N)nc2c1)C1CCOC1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine?
The InChIKey is PTOLLIOTTKOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-26(13-6-7-27-11-13)14-8-17-16(22-10-14)9-15(18(21)23-17)20-25-24-19(28-20)12-4-2-3-5-12/h8-10,12-13H,2-7,11H2,1H3,(H2,21,23).
What are the key properties of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine?
3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine has a molecular weight of 396.52 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-methyl-7-N-(oxolan-3-yl)-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).