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

C22H27N7S — CID 90287814

IUPAC5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC=C1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCN1C
InChIInChI=1S/C22H27N7S/c1-15-9-10-29(12-11-28(15)2)17-13-19-18(23-14-17)7-8-20(24-19)25-22-27-26-21(30-22)16-5-3-4-6-16/h7-8,13-14,16H,1,3-6,9-12H2,2H3,(H,24,25,27)
InChIKeyKTHYWTMZIGPXSP-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.54
Rot. Bonds4

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

5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 90287814) has the molecular formula C22H27N7S and a molecular weight of 421.57 g/mol. Its IUPAC name is 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID90287814
Molecular FormulaC22H27N7S
Molecular Weight421.57 g/mol
Exact Mass421.20
IUPAC Name5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC=C1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCN1C
InChIInChI=1S/C22H27N7S/c1-15-9-10-29(12-11-28(15)2)17-13-19-18(23-14-17)7-8-20(24-19)25-22-27-26-21(30-22)16-5-3-4-6-16/h7-8,13-14,16H,1,3-6,9-12H2,2H3,(H,24,25,27)
InChIKeyKTHYWTMZIGPXSP-UHFFFAOYSA-N
XLogP4.54
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine (CID 90287814) is 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is C=C1CCN(c2cnc3ccc(Nc4nnc(C5CCCC5)s4)nc3c2)CCN1C.
What is the InChIKey of 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is KTHYWTMZIGPXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7S/c1-15-9-10-29(12-11-28(15)2)17-13-19-18(23-14-17)7-8-20(24-19)25-22-27-26-21(30-22)16-5-3-4-6-16/h7-8,13-14,16H,1,3-6,9-12H2,2H3,(H,24,25,27).
What are the key properties of 5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine?
5-cyclopentyl-N-[7-(4-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 421.57 g/mol, XLogP of 4.54, 4 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-methyl-5-methylidene-1,4-diazepan-1-yl)-1,5-naphthyridin-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90287814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).